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

C18H29N5O — CID 97147883

IUPAC[(3R)-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-/m1/s1
InChIKeyVAKINRWWBVMEHY-OAHLLOKOSA-N
MW331.46 g/mol
LogP2.17
Rot. Bonds3

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

[(3R)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 97147883) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [(3R)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID97147883
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[(3R)-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-/m1/s1
InChIKeyVAKINRWWBVMEHY-OAHLLOKOSA-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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3R)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 97147883) is [(3R)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3R)-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 [(3R)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is VAKINRWWBVMEHY-OAHLLOKOSA-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-/m1/s1.
What are the key properties of [(3R)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
[(3R)-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 [(3R)-1-cyclopentylpiperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97147883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).