[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone

C15H25N5O — CID 53192618

IUPAC[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C15H25N5O/c1-11(2)20-10-17-18-14(20)12-5-8-19(9-6-12)15(21)13-4-3-7-16-13/h10-13,16H,3-9H2,1-2H3
InChIKeyGSQGCHIIVHQAGA-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.32
Rot. Bonds3

About [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone

[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 53192618) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID53192618
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C15H25N5O/c1-11(2)20-10-17-18-14(20)12-5-8-19(9-6-12)15(21)13-4-3-7-16-13/h10-13,16H,3-9H2,1-2H3
InChIKeyGSQGCHIIVHQAGA-UHFFFAOYSA-N
XLogP1.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
1-(2-amino-2-oxoethyl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 47000434
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56913790
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532
N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 71972493
1-(cyclopropylcarbonyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72839810
1-(cyclopropylcarbonyl)-N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-4-piperidinecarboxamide
CID 72852342
N-[cyclopropyl(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72870669
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72872954
1-cyclohexyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72888150

Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone (CID 53192618) is [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone is CC(C)n1cnnc1C1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is GSQGCHIIVHQAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(2)20-10-17-18-14(20)12-5-8-19(9-6-12)15(21)13-4-3-7-16-13/h10-13,16H,3-9H2,1-2H3.
What are the key properties of [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone?
[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 291.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 53192618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).