(2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide

C15H26N6O — CID 124752366

IUPAC(2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide
SMILESCC[C@@H](C(=O)NC1CCCC1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C15H26N6O/c1-2-13(14(22)18-12-5-3-4-6-12)20-7-9-21(10-8-20)15-16-11-17-19-15/h11-13H,2-10H2,1H3,(H,18,22)(H,16,17,19)/t13-/m0/s1
InChIKeyJICVCAZDTRQKKC-ZDUSSCGKSA-N
MW306.41 g/mol
LogP0.76
Rot. Bonds5

About (2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide

(2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide (PubChem CID 124752366) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide
PubChem CID124752366
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name(2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide
SMILESCC[C@@H](C(=O)NC1CCCC1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C15H26N6O/c1-2-13(14(22)18-12-5-3-4-6-12)20-7-9-21(10-8-20)15-16-11-17-19-15/h11-13H,2-10H2,1H3,(H,18,22)(H,16,17,19)/t13-/m0/s1
InChIKeyJICVCAZDTRQKKC-ZDUSSCGKSA-N
XLogP0.76
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide (CID 124752366) is (2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide is CC[C@@H](C(=O)NC1CCCC1)N1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide?
The InChIKey is JICVCAZDTRQKKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N6O/c1-2-13(14(22)18-12-5-3-4-6-12)20-7-9-21(10-8-20)15-16-11-17-19-15/h11-13H,2-10H2,1H3,(H,18,22)(H,16,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide?
(2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide is sourced from PubChem (CID 124752366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).