N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C19H31N5O — CID 86925418

IUPACN-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCCC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H31N5O/c25-19(22-8-5-13-23-11-3-1-2-4-12-23)17-6-14-24(15-7-17)18-16-20-9-10-21-18/h9-10,16-17H,1-8,11-15H2,(H,22,25)
InChIKeyRFZSZDYVJGVQPW-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.08
Rot. Bonds6

About N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 86925418) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID86925418
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCCCCC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H31N5O/c25-19(22-8-5-13-23-11-3-1-2-4-12-23)17-6-14-24(15-7-17)18-16-20-9-10-21-18/h9-10,16-17H,1-8,11-15H2,(H,22,25)
InChIKeyRFZSZDYVJGVQPW-UHFFFAOYSA-N
XLogP2.08
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839
N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 95623720
N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 119549612
(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 37392327
N-[2-(N-methylanilino)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134035168
N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792102
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384657
N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136578446
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 86925418) is N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(NCCCN1CCCCCC1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is RFZSZDYVJGVQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c25-19(22-8-5-13-23-11-3-1-2-4-12-23)17-6-14-24(15-7-17)18-16-20-9-10-21-18/h9-10,16-17H,1-8,11-15H2,(H,22,25).
What are the key properties of N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 86925418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).