4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide

C13H27N3O2 — CID 83201911

IUPAC4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCC(CCCO)NC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-11(5-4-10-17)14-12-6-8-16(9-7-12)13(18)15(2)3/h11-12,14,17H,4-10H2,1-3H3
InChIKeyPDCHDSJTVULOSS-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.88
Rot. Bonds5

About 4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide

4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83201911) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83201911
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCC(CCCO)NC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-11(5-4-10-17)14-12-6-8-16(9-7-12)13(18)15(2)3/h11-12,14,17H,4-10H2,1-3H3
InChIKeyPDCHDSJTVULOSS-UHFFFAOYSA-N
XLogP0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
CID 113262654
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492
4-[(5-hydroxy-4-methylpentyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 103912870
4-(1-cyclopropylethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83198312
4-(6-methylheptan-2-ylamino)piperidine-1-carboxamide
CID 43769257
(4R)-4-[[(3S)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852109
(4R)-4-[[(3R)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852107
4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 43776407
(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol
CID 97051577
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide (CID 83201911) is 4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide is CC(CCCO)NC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is PDCHDSJTVULOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(5-4-10-17)14-12-6-8-16(9-7-12)13(18)15(2)3/h11-12,14,17H,4-10H2,1-3H3.
What are the key properties of 4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83201911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).