(2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide

C16H26N6O2 — CID 96928240

IUPAC(2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(=O)NC1CCCC1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C16H26N6O2/c1-11(15(23)20-16(24)19-13-4-2-3-5-13)22-8-6-12(7-9-22)14-17-10-18-21-14/h10-13H,2-9H2,1H3,(H,17,18,21)(H2,19,20,23,24)/t11-/m0/s1
InChIKeyNHKJFKDNSGTNSX-NSHDSACASA-N
MW334.42 g/mol
LogP1.14
Rot. Bonds4

About (2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide

(2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 96928240) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
PubChem CID96928240
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name(2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(=O)NC1CCCC1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C16H26N6O2/c1-11(15(23)20-16(24)19-13-4-2-3-5-13)22-8-6-12(7-9-22)14-17-10-18-21-14/h10-13H,2-9H2,1H3,(H,17,18,21)(H2,19,20,23,24)/t11-/m0/s1
InChIKeyNHKJFKDNSGTNSX-NSHDSACASA-N
XLogP1.14
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 75424924
N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
CID 55544187
N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17447432
1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906559
(2R)-N-(cyclohexylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 8903762
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 55851155
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512
(2S)-N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9257137
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 34700937
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide (CID 96928240) is (2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide is C[C@@H](C(=O)NC(=O)NC1CCCC1)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of (2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is NHKJFKDNSGTNSX-NSHDSACASA-N. The full InChI is InChI=1S/C16H26N6O2/c1-11(15(23)20-16(24)19-13-4-2-3-5-13)22-8-6-12(7-9-22)14-17-10-18-21-14/h10-13H,2-9H2,1H3,(H,17,18,21)(H2,19,20,23,24)/t11-/m0/s1.
What are the key properties of (2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide?
(2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopentylcarbamoyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 96928240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).