N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide

C13H20N4O — CID 63127318

IUPACN,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N(CC#N)CC#N)CCNCC1
InChIInChI=1S/C13H20N4O/c1-2-3-13(4-8-16-9-5-13)12(18)17(10-6-14)11-7-15/h16H,2-5,8-11H2,1H3
InChIKeyTZNMUYRNGAZQRT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.03
Rot. Bonds5

About N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide

N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide (PubChem CID 63127318) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide
PubChem CID63127318
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N(CC#N)CC#N)CCNCC1
InChIInChI=1S/C13H20N4O/c1-2-3-13(4-8-16-9-5-13)12(18)17(10-6-14)11-7-15/h16H,2-5,8-11H2,1H3
InChIKeyTZNMUYRNGAZQRT-UHFFFAOYSA-N
XLogP1.03
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-bis(cyanomethyl)-4-propylpiperidine-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,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
N-ethyl-N-methyl-4-propylpiperidine-4-carboxamide
CID 63127606
N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128127
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
CID 63128833
N-(2-cyanopropyl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63143639
N-(cyclohexylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128373
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003
N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide
CID 63131904
N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63129472
N-(3-hydroxypropyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128773
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide (CID 63127318) is N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)N(CC#N)CC#N)CCNCC1.
What is the InChIKey of N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide?
The InChIKey is TZNMUYRNGAZQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-3-13(4-8-16-9-5-13)12(18)17(10-6-14)11-7-15/h16H,2-5,8-11H2,1H3.
What are the key properties of N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide?
N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63127318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).