N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide

C18H26ClN3O2 — CID 90616556

IUPACN-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
SMILESCOC1CCN(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-24-17-8-12-21(13-9-17)16-6-10-22(11-7-16)18(23)20-15-4-2-14(19)3-5-15/h2-5,16-17H,6-13H2,1H3,(H,20,23)
InChIKeyXTABDJGMOSYFHP-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.45
Rot. Bonds3

About N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide

N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide (PubChem CID 90616556) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
PubChem CID90616556
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
SMILESCOC1CCN(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-24-17-8-12-21(13-9-17)16-6-10-22(11-7-16)18(23)20-15-4-2-14(19)3-5-15/h2-5,16-17H,6-13H2,1H3,(H,20,23)
InChIKeyXTABDJGMOSYFHP-UHFFFAOYSA-N
XLogP3.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide
CID 90617413
4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199543
N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
CID 90616960
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 60969957
N-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160458
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide (CID 90616556) is N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide is COC1CCN(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide?
The InChIKey is XTABDJGMOSYFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-24-17-8-12-21(13-9-17)16-6-10-22(11-7-16)18(23)20-15-4-2-14(19)3-5-15/h2-5,16-17H,6-13H2,1H3,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide?
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide has a molecular weight of 351.88 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 90616556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).