(3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide

C10H17N5O — CID 81141505

IUPAC(3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C10H17N5O/c1-15(6-9-12-7-13-14-9)10(16)8-3-2-4-11-5-8/h7-8,11H,2-6H2,1H3,(H,12,13,14)/t8-/m0/s1
InChIKeyFDIRJOICKZLQEL-QMMMGPOBSA-N
MW223.28 g/mol
LogP-0.24
Rot. Bonds3

About (3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide

(3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (PubChem CID 81141505) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is (3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
PubChem CID81141505
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name(3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C10H17N5O/c1-15(6-9-12-7-13-14-9)10(16)8-3-2-4-11-5-8/h7-8,11H,2-6H2,1H3,(H,12,13,14)/t8-/m0/s1
InChIKeyFDIRJOICKZLQEL-QMMMGPOBSA-N
XLogP-0.24
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
CID 64510528
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
(2R,3R)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479147
(2S,3S)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479148
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806
(3S)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 81124814
N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 66428762
N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
(3R)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81133672

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide (CID 81141505) is (3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is CN(Cc1ncn[nH]1)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FDIRJOICKZLQEL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15(6-9-12-7-13-14-9)10(16)8-3-2-4-11-5-8/h7-8,11H,2-6H2,1H3,(H,12,13,14)/t8-/m0/s1.
What are the key properties of (3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide?
(3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81141505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).