1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide

C22H39N3O3 — CID 47987115

IUPAC1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NCC2(N3CCOCC3)CCCCC2)C1
InChIInChI=1S/C22H39N3O3/c1-21(2,3)20(27)24-11-7-8-18(16-24)19(26)23-17-22(9-5-4-6-10-22)25-12-14-28-15-13-25/h18H,4-17H2,1-3H3,(H,23,26)
InChIKeyCQJBPMVYAFTQDB-UHFFFAOYSA-N
MW393.57 g/mol
LogP2.42
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide (PubChem CID 47987115) has the molecular formula C22H39N3O3 and a molecular weight of 393.57 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide
PubChem CID47987115
Molecular FormulaC22H39N3O3
Molecular Weight393.57 g/mol
Exact Mass393.30
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NCC2(N3CCOCC3)CCCCC2)C1
InChIInChI=1S/C22H39N3O3/c1-21(2,3)20(27)24-11-7-8-18(16-24)19(26)23-17-22(9-5-4-6-10-22)25-12-14-28-15-13-25/h18H,4-17H2,1-3H3,(H,23,26)
InChIKeyCQJBPMVYAFTQDB-UHFFFAOYSA-N
XLogP2.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31288160
(3S)-1-(4-chlorobenzoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide
CID 31297423
N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide
CID 131939230
N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17459032
4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 20995034
1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 120888136
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
ethyl 1-[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]piperidine-3-carboxylate
CID 110994283
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide (CID 47987115) is 1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCCC(C(=O)NCC2(N3CCOCC3)CCCCC2)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide?
The InChIKey is CQJBPMVYAFTQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O3/c1-21(2,3)20(27)24-11-7-8-18(16-24)19(26)23-17-22(9-5-4-6-10-22)25-12-14-28-15-13-25/h18H,4-17H2,1-3H3,(H,23,26).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide has a molecular weight of 393.57 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 47987115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).