(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide

C13H23N3O2 — CID 36879981

IUPAC(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10(12(14)17)15-6-8-16(9-7-15)13(18)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,14,17)/t10-/m0/s1
InChIKeyHHJFFSZMDNUWSW-JTQLQIEISA-N
MW253.35 g/mol
LogP0.19
Rot. Bonds3

About (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide

(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide (PubChem CID 36879981) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide
PubChem CID36879981
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10(12(14)17)15-6-8-16(9-7-15)13(18)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,14,17)/t10-/m0/s1
InChIKeyHHJFFSZMDNUWSW-JTQLQIEISA-N
XLogP0.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide (CID 36879981) is (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide is C[C@@H](C(N)=O)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide?
The InChIKey is HHJFFSZMDNUWSW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(12(14)17)15-6-8-16(9-7-15)13(18)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,14,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide?
(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide has a molecular weight of 253.35 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 36879981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).