N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide

C22H27ClN4O2 — CID 90617413

IUPACN-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C22H27ClN4O2/c23-17-1-3-18(4-2-17)25-22(28)27-13-7-19(8-14-27)26-15-9-21(10-16-26)29-20-5-11-24-12-6-20/h1-6,11-12,19,21H,7-10,13-16H2,(H,25,28)
InChIKeyVXXUZKJHDUNZDZ-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.27
Rot. Bonds4

About N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide

N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide (PubChem CID 90617413) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide
PubChem CID90617413
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C22H27ClN4O2/c23-17-1-3-18(4-2-17)25-22(28)27-13-7-19(8-14-27)26-15-9-21(10-16-26)29-20-5-11-24-12-6-20/h1-6,11-12,19,21H,7-10,13-16H2,(H,25,28)
InChIKeyVXXUZKJHDUNZDZ-UHFFFAOYSA-N
XLogP4.27
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
N-(4-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186667
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566112
3-(2,6-dichlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617235
1,2-oxazol-5-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617084
methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate
CID 90617337
1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 90617118

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide (CID 90617413) is N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide?
The InChIKey is VXXUZKJHDUNZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c23-17-1-3-18(4-2-17)25-22(28)27-13-7-19(8-14-27)26-15-9-21(10-16-26)29-20-5-11-24-12-6-20/h1-6,11-12,19,21H,7-10,13-16H2,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide?
N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 90617413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).