[(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C18H29N5O — CID 97147884

IUPAC[(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCN(C2CCCC2)C1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C18H29N5O/c24-18(15-4-3-9-23(12-15)16-5-1-2-6-16)22-10-7-14(8-11-22)17-19-13-20-21-17/h13-16H,1-12H2,(H,19,20,21)/t15-/m0/s1
InChIKeyVAKINRWWBVMEHY-HNNXBMFYSA-N
MW331.46 g/mol
LogP2.17
Rot. Bonds3

About [(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

[(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 97147884) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID97147884
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CCCN(C2CCCC2)C1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C18H29N5O/c24-18(15-4-3-9-23(12-15)16-5-1-2-6-16)22-10-7-14(8-11-22)17-19-13-20-21-17/h13-16H,1-12H2,(H,19,20,21)/t15-/m0/s1
InChIKeyVAKINRWWBVMEHY-HNNXBMFYSA-N
XLogP2.17
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 72871952
CID 72871952
CID 72936981
CID 72936981
CID 72841531
CID 72841531
CID 53192204
CID 53192204
CID 53192619
CID 53192619
CID 70732021
CID 70732021
CID 71978412
CID 71978412
CID 96393573
CID 96393573
CID 97445254
CID 97445254
CID 132227966
CID 132227966
CID 129617548
CID 129617548
CID 136516990
CID 136516990

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 97147884) is [(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C([C@H]1CCCN(C2CCCC2)C1)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of [(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is VAKINRWWBVMEHY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N5O/c24-18(15-4-3-9-23(12-15)16-5-1-2-6-16)22-10-7-14(8-11-22)17-19-13-20-21-17/h13-16H,1-12H2,(H,19,20,21)/t15-/m0/s1.
What are the key properties of [(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
[(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 331.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97147884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).