N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide

C16H31N3O2 — CID 119756301

IUPACN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide
SMILESCCC(C)NC(=O)C(C)NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C16H31N3O2/c1-5-12(3)18-16(21)13(4)19-15(20)10-11(2)14-6-8-17-9-7-14/h11-14,17H,5-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyARNAZUKHAAUOQH-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.43
Rot. Bonds7

About N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide

N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide (PubChem CID 119756301) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide
PubChem CID119756301
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide
SMILESCCC(C)NC(=O)C(C)NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C16H31N3O2/c1-5-12(3)18-16(21)13(4)19-15(20)10-11(2)14-6-8-17-9-7-14/h11-14,17H,5-10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyARNAZUKHAAUOQH-UHFFFAOYSA-N
XLogP1.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119789209
3-methyl-2-(3-piperidin-4-ylbutanoylamino)butanamide;hydrochloride
CID 119779357
N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide
CID 119812275
N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119737978
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119690780
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119806695
N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119719754
N-butan-2-yl-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119756291
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514

Frequently Asked Questions

What is the IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide (CID 119756301) is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide is CCC(C)NC(=O)C(C)NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide?
The InChIKey is ARNAZUKHAAUOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-12(3)18-16(21)13(4)19-15(20)10-11(2)14-6-8-17-9-7-14/h11-14,17H,5-10H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide?
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide has a molecular weight of 297.44 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119756301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).