N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

C15H27N5O — CID 50961422

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCn1cnnc1CCNC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H27N5O/c1-4-19-11-17-18-14(19)5-8-16-15(21)13-6-9-20(10-7-13)12(2)3/h11-13H,4-10H2,1-3H3,(H,16,21)
InChIKeyADTMJZJKHRYFRF-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.08
Rot. Bonds6

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 50961422) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID50961422
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCn1cnnc1CCNC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H27N5O/c1-4-19-11-17-18-14(19)5-8-16-15(21)13-6-9-20(10-7-13)12(2)3/h11-13H,4-10H2,1-3H3,(H,16,21)
InChIKeyADTMJZJKHRYFRF-UHFFFAOYSA-N
XLogP1.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
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-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 47252889
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 50970582
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]urea
CID 51082968
N-(3-methoxypropyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53521953
N-cyclopentyl-3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
CID 53621133
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56891368
({5-[1-(aminoacetyl)-4-piperidinyl]-4-cyclopropyl-4H-1,2,4-triazol-3-yl}methyl)dimethylamine dihydrochloride
CID 70731082
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
CID 71855011

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 50961422) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is CCn1cnnc1CCNC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is ADTMJZJKHRYFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-19-11-17-18-14(19)5-8-16-15(21)13-6-9-20(10-7-13)12(2)3/h11-13H,4-10H2,1-3H3,(H,16,21).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 50961422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).