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

C13H21N5O — CID 43698109

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCNCC1)c1nnc2n1CCC2
InChIInChI=1S/C13H21N5O/c1-9(12-17-16-11-3-2-8-18(11)12)15-13(19)10-4-6-14-7-5-10/h9-10,14H,2-8H2,1H3,(H,15,19)
InChIKeyGVDFZQNUFVCLDC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.40
Rot. Bonds3

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 43698109) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID43698109
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCNCC1)c1nnc2n1CCC2
InChIInChI=1S/C13H21N5O/c1-9(12-17-16-11-3-2-8-18(11)12)15-13(19)10-4-6-14-7-5-10/h9-10,14H,2-8H2,1H3,(H,15,19)
InChIKeyGVDFZQNUFVCLDC-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide (CID 43698109) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCNCC1)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is GVDFZQNUFVCLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(12-17-16-11-3-2-8-18(11)12)15-13(19)10-4-6-14-7-5-10/h9-10,14H,2-8H2,1H3,(H,15,19).
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43698109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).