3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide

C13H24N6O — CID 128684988

IUPAC3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCc1n[nH]c(CNC(=O)N2CCCC(N(C)C)C2)n1
InChIInChI=1S/C13H24N6O/c1-4-11-15-12(17-16-11)8-14-13(20)19-7-5-6-10(9-19)18(2)3/h10H,4-9H2,1-3H3,(H,14,20)(H,15,16,17)
InChIKeyBOASKSRLWFITRG-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.60
Rot. Bonds4

About 3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide

3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 128684988) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID128684988
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCc1n[nH]c(CNC(=O)N2CCCC(N(C)C)C2)n1
InChIInChI=1S/C13H24N6O/c1-4-11-15-12(17-16-11)8-14-13(20)19-7-5-6-10(9-19)18(2)3/h10H,4-9H2,1-3H3,(H,14,20)(H,15,16,17)
InChIKeyBOASKSRLWFITRG-UHFFFAOYSA-N
XLogP0.60
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 166235016
3-(dimethylamino)-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboxamide
CID 127744055
(3S)-3-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboxamide
CID 95762764
(3R)-3-(dimethylamino)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 95598534
(3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 126442687
4-[[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 63550040
(3R)-3-(methylsulfanylmethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 126447123
(4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide
CID 126443974
5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 82013959
N-cyclohexyl-3-(dimethylamino)piperidine-1-carboxamide
CID 115613906
(3S)-3-cyano-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
CID 126434903
3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide
CID 136540342

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide (CID 128684988) is 3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide is CCc1n[nH]c(CNC(=O)N2CCCC(N(C)C)C2)n1.
What is the InChIKey of 3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is BOASKSRLWFITRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-11-15-12(17-16-11)8-14-13(20)19-7-5-6-10(9-19)18(2)3/h10H,4-9H2,1-3H3,(H,14,20)(H,15,16,17).
What are the key properties of 3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide?
3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 280.38 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 128684988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).