N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide

C16H32N2O — CID 81043690

IUPACN-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
SMILESCCC(CC)C(C)NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C16H32N2O/c1-5-14(6-2)13(4)18-16(19)10-12(3)15-8-7-9-17-11-15/h12-15,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyLLFCCAFZIWPEOT-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.95
Rot. Bonds7

About N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide

N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide (PubChem CID 81043690) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
PubChem CID81043690
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
SMILESCCC(CC)C(C)NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C16H32N2O/c1-5-14(6-2)13(4)18-16(19)10-12(3)15-8-7-9-17-11-15/h12-15,17H,5-11H2,1-4H3,(H,18,19)
InChIKeyLLFCCAFZIWPEOT-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043605
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757674
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119690780
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
N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791054
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylpropanamide
CID 63843860
(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 107824927

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide (CID 81043690) is N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide is CCC(CC)C(C)NC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is LLFCCAFZIWPEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-14(6-2)13(4)18-16(19)10-12(3)15-8-7-9-17-11-15/h12-15,17H,5-11H2,1-4H3,(H,18,19).
What are the key properties of N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide?
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 268.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81043690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).