4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide

C16H31N3O2 — CID 83190034

IUPAC4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-18(2)15(20)19-11-7-14(8-12-19)17-13-16(21)9-5-3-4-6-10-16/h14,17,21H,3-13H2,1-2H3
InChIKeyXNBQLKIPEDBROW-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.81
Rot. Bonds3

About 4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide

4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83190034) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83190034
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-18(2)15(20)19-11-7-14(8-12-19)17-13-16(21)9-5-3-4-6-10-16/h14,17,21H,3-13H2,1-2H3
InChIKeyXNBQLKIPEDBROW-UHFFFAOYSA-N
XLogP1.81
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[(1-methylcyclohexyl)methylamino]piperidine-1-carboxamide
CID 103912850
ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate
CID 60710956
4-[(1-methoxycyclobutyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 103991580
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262365
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
4-(cyclohexylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83199527
methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 83224585
1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 65116415

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide (CID 83190034) is 4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(NCC2(O)CCCCCC2)CC1.
What is the InChIKey of 4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is XNBQLKIPEDBROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-18(2)15(20)19-11-7-14(8-12-19)17-13-16(21)9-5-3-4-6-10-16/h14,17,21H,3-13H2,1-2H3.
What are the key properties of 4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide?
4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83190034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).