1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one

C15H25N5O — CID 56781102

IUPAC1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCCCC1Cn1cncn1
InChIInChI=1S/C15H25N5O/c1-13(15(21)18-7-4-5-8-18)20-9-3-2-6-14(20)10-19-12-16-11-17-19/h11-14H,2-10H2,1H3
InChIKeyYYCUTIJGGFRPEX-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.14
Rot. Bonds4

About 1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one

1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 56781102) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID56781102
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCCCC1Cn1cncn1
InChIInChI=1S/C15H25N5O/c1-13(15(21)18-7-4-5-8-18)20-9-3-2-6-14(20)10-19-12-16-11-17-19/h11-14H,2-10H2,1H3
InChIKeyYYCUTIJGGFRPEX-UHFFFAOYSA-N
XLogP1.14
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one (CID 56781102) is 1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCC1)N1CCCCC1Cn1cncn1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is YYCUTIJGGFRPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-13(15(21)18-7-4-5-8-18)20-9-3-2-6-14(20)10-19-12-16-11-17-19/h11-14H,2-10H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 291.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56781102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).