1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one

C15H23N5O2 — CID 118767431

IUPAC1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(C(=O)c2cn[nH]n2)CC1)N1CCCC1
InChIInChI=1S/C15H23N5O2/c21-14(19-7-1-2-8-19)4-3-12-5-9-20(10-6-12)15(22)13-11-16-18-17-13/h11-12H,1-10H2,(H,16,17,18)
InChIKeyDVYRSFMTLUPWDT-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.06
Rot. Bonds4

About 1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one

1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one (PubChem CID 118767431) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one
PubChem CID118767431
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(C(=O)c2cn[nH]n2)CC1)N1CCCC1
InChIInChI=1S/C15H23N5O2/c21-14(19-7-1-2-8-19)4-3-12-5-9-20(10-6-12)15(22)13-11-16-18-17-13/h11-12H,1-10H2,(H,16,17,18)
InChIKeyDVYRSFMTLUPWDT-UHFFFAOYSA-N
XLogP1.06
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one (CID 118767431) is 1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one is O=C(CCC1CCN(C(=O)c2cn[nH]n2)CC1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one?
The InChIKey is DVYRSFMTLUPWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-14(19-7-1-2-8-19)4-3-12-5-9-20(10-6-12)15(22)13-11-16-18-17-13/h11-12H,1-10H2,(H,16,17,18).
What are the key properties of 1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one?
1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one has a molecular weight of 305.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 118767431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).