2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide

C18H32N4O2 — CID 95934647

IUPAC2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESC[C@@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)N1CCCCCC1
InChIInChI=1S/C18H32N4O2/c1-15(21-8-4-2-3-5-9-21)18(24)22-12-10-20(11-13-22)14-17(23)19-16-6-7-16/h15-16H,2-14H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyQOXXXRSMHHXEFW-HNNXBMFYSA-N
MW336.48 g/mol
LogP0.67
Rot. Bonds5

About 2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 95934647) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID95934647
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESC[C@@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)N1CCCCCC1
InChIInChI=1S/C18H32N4O2/c1-15(21-8-4-2-3-5-9-21)18(24)22-12-10-20(11-13-22)14-17(23)19-16-6-7-16/h15-16H,2-14H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyQOXXXRSMHHXEFW-HNNXBMFYSA-N
XLogP0.67
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 127274229
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 119876862
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 119876865
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide;dihydrochloride
CID 120503708
N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
CID 120703373
N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 134045373
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398
N-cyclohexyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55461906
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 30722149
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide
CID 55411006
(3S)-N-cyclopropyl-1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95104508
2-[4-[2-(2-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 134034895

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 95934647) is 2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide is C[C@@H](C(=O)N1CCN(CC(=O)NC2CC2)CC1)N1CCCCCC1.
What is the InChIKey of 2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is QOXXXRSMHHXEFW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-15(21-8-4-2-3-5-9-21)18(24)22-12-10-20(11-13-22)14-17(23)19-16-6-7-16/h15-16H,2-14H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 336.48 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 95934647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).