N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide

C25H37N3O3 — CID 42693267

IUPACN-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(N3CCC(C(=O)NC4CCCCC4)CC3)CC2)c1
InChIInChI=1S/C25H37N3O3/c1-31-23-9-5-6-20(18-23)25(30)28-16-12-22(13-17-28)27-14-10-19(11-15-27)24(29)26-21-7-3-2-4-8-21/h5-6,9,18-19,21-22H,2-4,7-8,10-17H2,1H3,(H,26,29)
InChIKeyHKGIPQAIYZUHTN-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.46
Rot. Bonds5

About N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide

N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42693267) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42693267
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC NameN-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(N3CCC(C(=O)NC4CCCCC4)CC3)CC2)c1
InChIInChI=1S/C25H37N3O3/c1-31-23-9-5-6-20(18-23)25(30)28-16-12-22(13-17-28)27-14-10-19(11-15-27)24(29)26-21-7-3-2-4-8-21/h5-6,9,18-19,21-22H,2-4,7-8,10-17H2,1H3,(H,26,29)
InChIKeyHKGIPQAIYZUHTN-UHFFFAOYSA-N
XLogP3.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42395399
[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927512
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227706
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
N-[1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220971
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide (CID 42693267) is N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide is COc1cccc(C(=O)N2CCC(N3CCC(C(=O)NC4CCCCC4)CC3)CC2)c1.
What is the InChIKey of N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is HKGIPQAIYZUHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-31-23-9-5-6-20(18-23)25(30)28-16-12-22(13-17-28)27-14-10-19(11-15-27)24(29)26-21-7-3-2-4-8-21/h5-6,9,18-19,21-22H,2-4,7-8,10-17H2,1H3,(H,26,29).
What are the key properties of N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?
N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42693267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).