N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride

C15H31ClN2O — CID 119757674

IUPACN-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCCC(CC)NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-4-7-14(5-2)17-15(18)10-12(3)13-8-6-9-16-11-13;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H
InChIKeyOKBZAVIMKWXDNK-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.13
Rot. Bonds7

About N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride

N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119757674) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119757674
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC NameN-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCCC(CC)NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-4-7-14(5-2)17-15(18)10-12(3)13-8-6-9-16-11-13;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H
InChIKeyOKBZAVIMKWXDNK-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791054
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119690780
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 106188309
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 107824927
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 81043922

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride (CID 119757674) is N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride is CCCC(CC)NC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is OKBZAVIMKWXDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-4-7-14(5-2)17-15(18)10-12(3)13-8-6-9-16-11-13;/h12-14,16H,4-11H2,1-3H3,(H,17,18);1H.
What are the key properties of N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride?
N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119757674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).