1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone

C26H32ClN3O2 — CID 70311595

IUPAC1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone
SMILESCc1cc(CN2CCC(C(=O)N3CCC(CC(=O)c4ccc(Cl)cc4)CC3)CC2)ccn1
InChIInChI=1S/C26H32ClN3O2/c1-19-16-21(6-11-28-19)18-29-12-9-23(10-13-29)26(32)30-14-7-20(8-15-30)17-25(31)22-2-4-24(27)5-3-22/h2-6,11,16,20,23H,7-10,12-15,17-18H2,1H3
InChIKeyNDSZTGCCYKRRTE-UHFFFAOYSA-N
MW454.01 g/mol
LogP4.77
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone

1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone (PubChem CID 70311595) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone
PubChem CID70311595
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC Name1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone
SMILESCc1cc(CN2CCC(C(=O)N3CCC(CC(=O)c4ccc(Cl)cc4)CC3)CC2)ccn1
InChIInChI=1S/C26H32ClN3O2/c1-19-16-21(6-11-28-19)18-29-12-9-23(10-13-29)26(32)30-14-7-20(8-15-30)17-25(31)22-2-4-24(27)5-3-22/h2-6,11,16,20,23H,7-10,12-15,17-18H2,1H3
InChIKeyNDSZTGCCYKRRTE-UHFFFAOYSA-N
XLogP4.77
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.01
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone with MolForge

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Related Compounds

[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-C-(4-chlorophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]methanone
CID 21306782
(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
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(4-chlorophenyl)-(cyclopropylmethoxy)methyl]piperidin-1-yl]methanone
CID 58793940
[4-[(E)-1-(4-chlorophenyl)-3-methoxy-3-oxoprop-1-enyl]piperidin-1-yl]-methylborinic acid;[4-[(Z)-1-(4-chlorophenyl)-3-methoxy-3-oxoprop-1-enyl]piperidin-1-yl]-methylborinic acid;methyl (E)-3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-3-(4-chlorophenyl)prop-2-enoate;methyl (Z)-3-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-3-(4-chlorophenyl)prop-2-enoate
CID 159367523
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 45018644
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[N-methoxy-C-(4-methylphenyl)carbonimidoyl]piperidin-1-yl]methanone
CID 145470599
[4-[(2-amino-5-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone
CID 89125704
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
tert-butyl N-[4-[[4-[4-[2-(4-chlorophenyl)acetyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]carbamate;ethane
CID 145470615
1-[4-[[4-[2-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]phenyl]propan-2-one
CID 58073556
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073222
1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]ethanone
CID 58073194

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone (CID 70311595) is 1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone is Cc1cc(CN2CCC(C(=O)N3CCC(CC(=O)c4ccc(Cl)cc4)CC3)CC2)ccn1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone?
The InChIKey is NDSZTGCCYKRRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O2/c1-19-16-21(6-11-28-19)18-29-12-9-23(10-13-29)26(32)30-14-7-20(8-15-30)17-25(31)22-2-4-24(27)5-3-22/h2-6,11,16,20,23H,7-10,12-15,17-18H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone?
1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone has a molecular weight of 454.01 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[1-[1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 70311595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).