4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

C19H34N6O — CID 75440447

IUPAC4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCCN(CCC1CCN(C(=O)NCc2nncn2CC)CC1)CC1CC1
InChIInChI=1S/C19H34N6O/c1-3-23(14-17-5-6-17)10-7-16-8-11-25(12-9-16)19(26)20-13-18-22-21-15-24(18)4-2/h15-17H,3-14H2,1-2H3,(H,20,26)
InChIKeyRFAJDRNSSZPQCT-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.34
Rot. Bonds9

About 4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide

4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 75440447) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID75440447
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCCN(CCC1CCN(C(=O)NCc2nncn2CC)CC1)CC1CC1
InChIInChI=1S/C19H34N6O/c1-3-23(14-17-5-6-17)10-7-16-8-11-25(12-9-16)19(26)20-13-18-22-21-15-24(18)4-2/h15-17H,3-14H2,1-2H3,(H,20,26)
InChIKeyRFAJDRNSSZPQCT-UHFFFAOYSA-N
XLogP2.34
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide (CID 75440447) is 4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is CCN(CCC1CCN(C(=O)NCc2nncn2CC)CC1)CC1CC1.
What is the InChIKey of 4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is RFAJDRNSSZPQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-3-23(14-17-5-6-17)10-7-16-8-11-25(12-9-16)19(26)20-13-18-22-21-15-24(18)4-2/h15-17H,3-14H2,1-2H3,(H,20,26).
What are the key properties of 4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide?
4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 75440447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).