(2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide

C13H21N5O — CID 103813441

IUPAC(2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCCN1)c1nnc2n1CCC2
InChIInChI=1S/C13H21N5O/c1-9(12-17-16-11-6-4-8-18(11)12)15-13(19)10-5-2-3-7-14-10/h9-10,14H,2-8H2,1H3,(H,15,19)/t9?,10-/m0/s1
InChIKeyJGMFJBKSSINQHK-AXDSSHIGSA-N
MW263.34 g/mol
LogP0.54
Rot. Bonds3

About (2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide

(2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide (PubChem CID 103813441) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide
PubChem CID103813441
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCCN1)c1nnc2n1CCC2
InChIInChI=1S/C13H21N5O/c1-9(12-17-16-11-6-4-8-18(11)12)15-13(19)10-5-2-3-7-14-10/h9-10,14H,2-8H2,1H3,(H,15,19)/t9?,10-/m0/s1
InChIKeyJGMFJBKSSINQHK-AXDSSHIGSA-N
XLogP0.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119839910
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119841168
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007072
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 43706300
1-cyclopentyl-3-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]urea
CID 97211815
(2R,5S)-5-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944786
2-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 43698134
(1R)-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 37168594
(1R)-N-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 37168598
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(methylamino)propanamide
CID 62637463
3-amino-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66010190
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide (CID 103813441) is (2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide is CC(NC(=O)[C@@H]1CCCCN1)c1nnc2n1CCC2.
What is the InChIKey of (2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is JGMFJBKSSINQHK-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(12-17-16-11-6-4-8-18(11)12)15-13(19)10-5-2-3-7-14-10/h9-10,14H,2-8H2,1H3,(H,15,19)/t9?,10-/m0/s1.
What are the key properties of (2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide?
(2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 103813441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).