1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide

C20H35N7O2 — CID 45167820

IUPAC1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Cn2nnnc2CN2CCCCCC2)C1
InChIInChI=1S/C20H35N7O2/c1-3-25(4-2)20(29)17-10-9-13-26(14-17)19(28)16-27-18(21-22-23-27)15-24-11-7-5-6-8-12-24/h17H,3-16H2,1-2H3
InChIKeyAVDRYUCCHDIJLO-UHFFFAOYSA-N
MW405.55 g/mol
LogP1.16
Rot. Bonds7

About 1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide

1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 45167820) has the molecular formula C20H35N7O2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID45167820
Molecular FormulaC20H35N7O2
Molecular Weight405.55 g/mol
Exact Mass405.29
IUPAC Name1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Cn2nnnc2CN2CCCCCC2)C1
InChIInChI=1S/C20H35N7O2/c1-3-25(4-2)20(29)17-10-9-13-26(14-17)19(28)16-27-18(21-22-23-27)15-24-11-7-5-6-8-12-24/h17H,3-16H2,1-2H3
InChIKeyAVDRYUCCHDIJLO-UHFFFAOYSA-N
XLogP1.16
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-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 1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide (CID 45167820) is 1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)Cn2nnnc2CN2CCCCCC2)C1.
What is the InChIKey of 1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is AVDRYUCCHDIJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N7O2/c1-3-25(4-2)20(29)17-10-9-13-26(14-17)19(28)16-27-18(21-22-23-27)15-24-11-7-5-6-8-12-24/h17H,3-16H2,1-2H3.
What are the key properties of 1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide?
1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 1.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]acetyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 45167820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).