N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide

C21H37N3O3 — CID 131939230

IUPACN-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NCC2(N3CCOCC3)CCCCCC2)CC1
InChIInChI=1S/C21H37N3O3/c1-2-19(25)23-11-7-18(8-12-23)20(26)22-17-21(9-5-3-4-6-10-21)24-13-15-27-16-14-24/h18H,2-17H2,1H3,(H,22,26)
InChIKeyVWGCONYCCIMFNZ-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.18
Rot. Bonds5

About N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide

N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide (PubChem CID 131939230) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide
PubChem CID131939230
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC NameN-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)NCC2(N3CCOCC3)CCCCCC2)CC1
InChIInChI=1S/C21H37N3O3/c1-2-19(25)23-11-7-18(8-12-23)20(26)22-17-21(9-5-3-4-6-10-21)24-13-15-27-16-14-24/h18H,2-17H2,1H3,(H,22,26)
InChIKeyVWGCONYCCIMFNZ-UHFFFAOYSA-N
XLogP2.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 20995034
N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17459032
1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide
CID 47987115
(3R)-3-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31288160
1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 55476275
1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 38156413
(3S)-1-(4-chlorobenzoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide
CID 31297423
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
ethyl 1-[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]piperidine-3-carboxylate
CID 110994283
(2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 125150968

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide (CID 131939230) is N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide is CCC(=O)N1CCC(C(=O)NCC2(N3CCOCC3)CCCCCC2)CC1.
What is the InChIKey of N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide?
The InChIKey is VWGCONYCCIMFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-2-19(25)23-11-7-18(8-12-23)20(26)22-17-21(9-5-3-4-6-10-21)24-13-15-27-16-14-24/h18H,2-17H2,1H3,(H,22,26).
What are the key properties of N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide?
N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 131939230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).