(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid

C11H17N5O3 — CID 81125435

IUPAC(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCn1cnnc1CNC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H17N5O3/c1-15-7-13-14-9(15)5-12-11(19)16-4-2-3-8(6-16)10(17)18/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18)/t8-/m0/s1
InChIKeySFZAZTFHAFHDJI-QMMMGPOBSA-N
MW267.29 g/mol
LogP-0.18
Rot. Bonds3

About (3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid

(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81125435) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is (3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81125435
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCn1cnnc1CNC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C11H17N5O3/c1-15-7-13-14-9(15)5-12-11(19)16-4-2-3-8(6-16)10(17)18/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18)/t8-/m0/s1
InChIKeySFZAZTFHAFHDJI-QMMMGPOBSA-N
XLogP-0.18
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 115584088
4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 115584087
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120963
2-[4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62824868
(3S)-1-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 103955881
3-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63042310
1-[(4-bromo-1-methylpyrazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122016380
2-[4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 62311321
1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122007451
1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 51092911
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
1-[(7-chloro-1-methylbenzimidazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122010524

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 81125435) is (3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid is Cn1cnnc1CNC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is SFZAZTFHAFHDJI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-15-7-13-14-9(15)5-12-11(19)16-4-2-3-8(6-16)10(17)18/h7-8H,2-6H2,1H3,(H,12,19)(H,17,18)/t8-/m0/s1.
What are the key properties of (3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81125435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).