(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone

C42H51Cl2N5O4 — CID 161046033

IUPAC(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1.O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C24H28ClN3O2.C18H23ClN2O2/c25-22-3-1-19(2-4-22)23(29)20-9-15-28(16-10-20)24(30)21-7-13-27(14-8-21)17-18-5-11-26-12-6-18;19-16-3-1-13(2-4-16)17(22)14-7-11-21(12-8-14)18(23)15-5-9-20-10-6-15/h1-6,11-12,20-21H,7-10,13-17H2;1-4,14-15,20H,5-12H2
InChIKeyUBMXVKVTFCVYIR-UHFFFAOYSA-N
MW760.81 g/mol
LogP6.83
Rot. Bonds8

About (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone

(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone (PubChem CID 161046033) has the molecular formula C42H51Cl2N5O4 and a molecular weight of 760.81 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
PubChem CID161046033
Molecular FormulaC42H51Cl2N5O4
Molecular Weight760.81 g/mol
Exact Mass759.33
IUPAC Name(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1.O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C24H28ClN3O2.C18H23ClN2O2/c25-22-3-1-19(2-4-22)23(29)20-9-15-28(16-10-20)24(30)21-7-13-27(14-8-21)17-18-5-11-26-12-6-18;19-16-3-1-13(2-4-16)17(22)14-7-11-21(12-8-14)18(23)15-5-9-20-10-6-15/h1-6,11-12,20-21H,7-10,13-17H2;1-4,14-15,20H,5-12H2
InChIKeyUBMXVKVTFCVYIR-UHFFFAOYSA-N
XLogP6.83
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.81
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 160738469
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 31370396
(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane
CID 142137705
2-[[(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methylidene]amino]oxy-1-morpholin-4-ylethanone
CID 59275091
[4-[N-ethyl-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 142137779
1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone
CID 70311595
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
2-(4-chlorophenyl)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 119287935
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 70310445
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 20754558

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone (CID 161046033) is (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1.O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone?
The InChIKey is UBMXVKVTFCVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2.C18H23ClN2O2/c25-22-3-1-19(2-4-22)23(29)20-9-15-28(16-10-20)24(30)21-7-13-27(14-8-21)17-18-5-11-26-12-6-18;19-16-3-1-13(2-4-16)17(22)14-7-11-21(12-8-14)18(23)15-5-9-20-10-6-15/h1-6,11-12,20-21H,7-10,13-17H2;1-4,14-15,20H,5-12H2.
What are the key properties of (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone has a molecular weight of 760.81 g/mol, XLogP of 6.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 161046033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).