N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide

C14H25N3O — CID 63131813

IUPACN-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)CC(C)C#N)CCCNC1
InChIInChI=1S/C14H25N3O/c1-4-6-14(7-5-8-16-11-14)13(18)17(3)10-12(2)9-15/h12,16H,4-8,10-11H2,1-3H3
InChIKeyFIYPICMIZZPXOF-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.77
Rot. Bonds5

About N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide

N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide (PubChem CID 63131813) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide
PubChem CID63131813
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)CC(C)C#N)CCCNC1
InChIInChI=1S/C14H25N3O/c1-4-6-14(7-5-8-16-11-14)13(18)17(3)10-12(2)9-15/h12,16H,4-8,10-11H2,1-3H3
InChIKeyFIYPICMIZZPXOF-UHFFFAOYSA-N
XLogP1.77
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-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

Related Compounds

N-(2-cyanopropyl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63143639
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-propylpiperidine-3-carboxamide
CID 106915355
N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63224988
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
N-ethyl-N-(2-methylbutyl)-3-propylpiperidine-3-carboxamide
CID 79470746
N-methoxy-N-methyl-3-propylpiperidine-3-carboxamide
CID 63135339
N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide
CID 63131904
N-(2-ethoxyethyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 81059050
N-cyclopentyl-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130051
N,N-bis(prop-2-enyl)-3-propylpiperidine-3-carboxamide
CID 63132269
N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130856
N-ethyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131140

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide (CID 63131813) is N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)N(C)CC(C)C#N)CCCNC1.
What is the InChIKey of N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide?
The InChIKey is FIYPICMIZZPXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-6-14(7-5-8-16-11-14)13(18)17(3)10-12(2)9-15/h12,16H,4-8,10-11H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide?
N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63131813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).