(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride

C30H38Cl3N3O3 — CID 160738469

IUPAC(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCNCC2)CC1.O=C(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C18H23ClN2O2.C12H14ClNO.ClH/c19-16-3-1-13(2-4-16)17(22)14-7-11-21(12-8-14)18(23)15-5-9-20-10-6-15;13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;/h1-4,14-15,20H,5-12H2;1-4,10,14H,5-8H2;1H
InChIKeyFJGHSTKGMMXAHI-UHFFFAOYSA-N
MW595.01 g/mol
LogP5.70
Rot. Bonds5

About (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride

(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride (PubChem CID 160738469) has the molecular formula C30H38Cl3N3O3 and a molecular weight of 595.01 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
PubChem CID160738469
Molecular FormulaC30H38Cl3N3O3
Molecular Weight595.01 g/mol
Exact Mass593.20
IUPAC Name(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCNCC2)CC1.O=C(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C18H23ClN2O2.C12H14ClNO.ClH/c19-16-3-1-13(2-4-16)17(22)14-7-11-21(12-8-14)18(23)15-5-9-20-10-6-15;13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;/h1-4,14-15,20H,5-12H2;1-4,10,14H,5-8H2;1H
InChIKeyFJGHSTKGMMXAHI-UHFFFAOYSA-N
XLogP5.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.01
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane
CID 142137705
2-(4-chlorophenyl)-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 119287935
4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 102558711
(4-chlorophenyl)-[1-(1,3-thiazolidine-4-carbonyl)piperidin-4-yl]methanone
CID 119289949
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 120987051
[4-(2,4-dichlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 143238076
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119316403
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
[1-(4-chloro-3-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155535689

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride (CID 160738469) is (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride is Cl.O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCNCC2)CC1.O=C(c1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is FJGHSTKGMMXAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2.C12H14ClNO.ClH/c19-16-3-1-13(2-4-16)17(22)14-7-11-21(12-8-14)18(23)15-5-9-20-10-6-15;13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;/h1-4,14-15,20H,5-12H2;1-4,10,14H,5-8H2;1H.
What are the key properties of (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride?
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 595.01 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 160738469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).