1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one

C15H23N5O2 — CID 70741162

IUPAC1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
SMILESO=C(CCn1cnnc1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H23N5O2/c21-14(5-8-18-11-16-17-12-18)19-9-3-13(4-10-19)15(22)20-6-1-2-7-20/h11-13H,1-10H2
InChIKeyQBWFOSIKTOXWNQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.53
Rot. Bonds4

About 1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one

1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one (PubChem CID 70741162) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
PubChem CID70741162
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
SMILESO=C(CCn1cnnc1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H23N5O2/c21-14(5-8-18-11-16-17-12-18)19-9-3-13(4-10-19)15(22)20-6-1-2-7-20/h11-13H,1-10H2
InChIKeyQBWFOSIKTOXWNQ-UHFFFAOYSA-N
XLogP0.53
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(1,2,4-Triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 53619246
7-methyl-2-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56743510
1-tert-butyl-4-({4-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 70758026
7-propyl-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72852632
7-(cyclopropylmethyl)-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72866575
7-isopropyl-2-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918675
4-(1-pyrrolidinylcarbonyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine
CID 70734448
3-(4H-1,2,4-triazol-4-yl)-N-{[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methyl}propanamide
CID 131947788
1-[3-(1-piperidinyl)-1-(1H-1,2,4-triazol-1-yl)propyl]-2-pyrrolidinone
CID 3724647
1-(4-Methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 40130896
1-(3-Methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42938651
1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one
CID 47778290

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one (CID 70741162) is 1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one is O=C(CCn1cnnc1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of 1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one?
The InChIKey is QBWFOSIKTOXWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-14(5-8-18-11-16-17-12-18)19-9-3-13(4-10-19)15(22)20-6-1-2-7-20/h11-13H,1-10H2.
What are the key properties of 1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one?
1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one has a molecular weight of 305.38 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one is sourced from PubChem (CID 70741162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).