(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide

C18H25N5O — CID 124679845

IUPAC(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCc2nncn2CCc2ccccc2)C1
InChIInChI=1S/C18H25N5O/c1-22-10-5-8-16(13-22)18(24)19-12-17-21-20-14-23(17)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,19,24)/t16-/m0/s1
InChIKeyOLOBBKPWTUWELM-INIZCTEOSA-N
MW327.43 g/mol
LogP1.48
Rot. Bonds6

About (3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide

(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide (PubChem CID 124679845) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
PubChem CID124679845
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCc2nncn2CCc2ccccc2)C1
InChIInChI=1S/C18H25N5O/c1-22-10-5-8-16(13-22)18(24)19-12-17-21-20-14-23(17)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,19,24)/t16-/m0/s1
InChIKeyOLOBBKPWTUWELM-INIZCTEOSA-N
XLogP1.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 51092911
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297
6-oxo-1-(2-phenylethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 45199030
1-cyclopentyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxamide
CID 131899744
(1S,3R,4R)-3-amino-4-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155938046
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
6,6-dimethyl-5-oxo-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]thiomorpholine-3-carboxamide
CID 131909667
N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide
CID 91767891
(2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide
CID 118772148
(3S)-1-ethyl-3-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
CID 97195270
(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81125435

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide (CID 124679845) is (3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide is CN1CCC[C@H](C(=O)NCc2nncn2CCc2ccccc2)C1.
What is the InChIKey of (3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide?
The InChIKey is OLOBBKPWTUWELM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22-10-5-8-16(13-22)18(24)19-12-17-21-20-14-23(17)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,19,24)/t16-/m0/s1.
What are the key properties of (3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide?
(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124679845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).