[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

C13H21N5O — CID 61165126

IUPAC[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCn1cnnc1C1CCCN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C13H21N5O/c1-17-9-15-16-12(17)10-4-3-7-18(8-10)13(19)11-5-2-6-14-11/h9-11,14H,2-8H2,1H3/t10?,11-/m0/s1
InChIKeyGUDNPAQXNDAIPT-DTIOYNMSSA-N
MW263.34 g/mol
LogP0.27
Rot. Bonds2

About [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 61165126) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID61165126
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCn1cnnc1C1CCCN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C13H21N5O/c1-17-9-15-16-12(17)10-4-3-7-18(8-10)13(19)11-5-2-6-14-11/h9-11,14H,2-8H2,1H3/t10?,11-/m0/s1
InChIKeyGUDNPAQXNDAIPT-DTIOYNMSSA-N
XLogP0.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.27
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
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 50970582
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-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-4-piperidinecarboxamide
CID 72852342
1-cyclopentyl-N-methyl-6-oxo-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-piperidinecarboxamide
CID 72860922
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

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 61165126) is [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is Cn1cnnc1C1CCCN(C(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is GUDNPAQXNDAIPT-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17-9-15-16-12(17)10-4-3-7-18(8-10)13(19)11-5-2-6-14-11/h9-11,14H,2-8H2,1H3/t10?,11-/m0/s1.
What are the key properties of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 61165126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).