4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide

C14H29N3O2 — CID 103912870

IUPAC4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCC(CO)CCCNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-12(11-18)5-4-8-15-13-6-9-17(10-7-13)14(19)16(2)3/h12-13,15,18H,4-11H2,1-3H3
InChIKeyOGBKBNFSECZEKK-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.13
Rot. Bonds6

About 4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide

4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 103912870) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID103912870
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCC(CO)CCCNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-12(11-18)5-4-8-15-13-6-9-17(10-7-13)14(19)16(2)3/h12-13,15,18H,4-11H2,1-3H3
InChIKeyOGBKBNFSECZEKK-UHFFFAOYSA-N
XLogP1.13
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]ethanone
CID 103859428
2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 103905502
N,N-dimethyl-4-[3-(2-methylpropoxy)propylamino]piperidine-1-carboxamide
CID 83199097
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417
N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide
CID 115899595
4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262365
4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201911
4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83268946
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide
CID 115899675
methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 83224585

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide (CID 103912870) is 4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide is CC(CO)CCCNC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is OGBKBNFSECZEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(11-18)5-4-8-15-13-6-9-17(10-7-13)14(19)16(2)3/h12-13,15,18H,4-11H2,1-3H3.
What are the key properties of 4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide?
4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 271.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 103912870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).