(5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one

C17H26N6O2 — CID 126451283

IUPAC(5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C17H26N6O2/c24-15-6-5-13(11-23(15)14-3-1-2-4-14)16(25)21-7-9-22(10-8-21)17-18-12-19-20-17/h12-14H,1-11H2,(H,18,19,20)/t13-/m1/s1
InChIKeyIZYUFFUPSBIVGB-CYBMUJFWSA-N
MW346.44 g/mol
LogP0.63
Rot. Bonds3

About (5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one

(5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 126451283) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is (5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID126451283
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name(5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C17H26N6O2/c24-15-6-5-13(11-23(15)14-3-1-2-4-14)16(25)21-7-9-22(10-8-21)17-18-12-19-20-17/h12-14H,1-11H2,(H,18,19,20)/t13-/m1/s1
InChIKeyIZYUFFUPSBIVGB-CYBMUJFWSA-N
XLogP0.63
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 45213447
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
(5R)-1-cyclopropyl-5-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-2-one
CID 42189910
5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one
CID 24791970
1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45195395
1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid
CID 175941720
(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 138377906
(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
CID 29152851
1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 141318848
(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 118765935
formic acid;oxan-4-yl-[6-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]-1,4-oxazepan-4-yl]methanone
CID 171339698
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013

Frequently Asked Questions

What is the IUPAC name of (5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one (CID 126451283) is (5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one is O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of (5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is IZYUFFUPSBIVGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N6O2/c24-15-6-5-13(11-23(15)14-3-1-2-4-14)16(25)21-7-9-22(10-8-21)17-18-12-19-20-17/h12-14H,1-11H2,(H,18,19,20)/t13-/m1/s1.
What are the key properties of (5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
(5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 346.44 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 126451283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).