(2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide

C16H27N3O3 — CID 139517145

IUPAC(2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide
SMILESC[C@H](NC(=O)CCN1CCCCC1=O)C(=O)NCC1CCC1
InChIInChI=1S/C16H27N3O3/c1-12(16(22)17-11-13-5-4-6-13)18-14(20)8-10-19-9-3-2-7-15(19)21/h12-13H,2-11H2,1H3,(H,17,22)(H,18,20)/t12-/m0/s1
InChIKeyWXXVJOPUJISFHK-LBPRGKRZSA-N
MW309.41 g/mol
LogP0.81
Rot. Bonds7

About (2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide

(2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide (PubChem CID 139517145) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide
PubChem CID139517145
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide
SMILESC[C@H](NC(=O)CCN1CCCCC1=O)C(=O)NCC1CCC1
InChIInChI=1S/C16H27N3O3/c1-12(16(22)17-11-13-5-4-6-13)18-14(20)8-10-19-9-3-2-7-15(19)21/h12-13H,2-11H2,1H3,(H,17,22)(H,18,20)/t12-/m0/s1
InChIKeyWXXVJOPUJISFHK-LBPRGKRZSA-N
XLogP0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-3-[3-(2-oxoazepan-1-yl)propanoylamino]propanamide
CID 167261062
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 139516928
N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
CID 131945632
(2S,4S)-4-amino-1-[3-(2-oxoazepan-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56714545
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111459837
1-(cyclobutylmethyl)-1-methyl-3-[3-(2-oxopiperidin-1-yl)propyl]urea
CID 75370731
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
3-(2-oxoazepan-1-yl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)propanamide
CID 72891820
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 95215756
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide?
The IUPAC name of (2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide (CID 139517145) is (2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide.
What is the SMILES notation for (2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide?
The canonical SMILES for (2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide is C[C@H](NC(=O)CCN1CCCCC1=O)C(=O)NCC1CCC1.
What is the InChIKey of (2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide?
The InChIKey is WXXVJOPUJISFHK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12(16(22)17-11-13-5-4-6-13)18-14(20)8-10-19-9-3-2-7-15(19)21/h12-13H,2-11H2,1H3,(H,17,22)(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide?
(2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide has a molecular weight of 309.41 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclobutylmethyl)-2-[3-(2-oxopiperidin-1-yl)propanoylamino]propanamide is sourced from PubChem (CID 139517145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).