N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide

C14H25N3O — CID 63131904

IUPACN-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC)CCC#N)CCCNC1
InChIInChI=1S/C14H25N3O/c1-3-7-14(8-5-10-16-12-14)13(18)17(4-2)11-6-9-15/h16H,3-8,10-12H2,1-2H3
InChIKeyJCBICVWKXOCKJV-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.92
Rot. Bonds6

About N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide

N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide (PubChem CID 63131904) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide
PubChem CID63131904
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC)CCC#N)CCCNC1
InChIInChI=1S/C14H25N3O/c1-3-7-14(8-5-10-16-12-14)13(18)17(4-2)11-6-9-15/h16H,3-8,10-12H2,1-2H3
InChIKeyJCBICVWKXOCKJV-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131140
N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 63131514
N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
CID 63128833
N-ethyl-N-(2-methylbutyl)-3-propylpiperidine-3-carboxamide
CID 79470746
N,N-bis(prop-2-enyl)-3-propylpiperidine-3-carboxamide
CID 63132269
2-[propyl-(3-propylpiperidine-3-carbonyl)amino]acetic acid
CID 63135316
N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63224988
N-(2-cyanopropyl)-N-ethyl-3-propylpyrrolidine-3-carboxamide
CID 63143639
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxamide
CID 63130724
N-butyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131187
N-(cyclopropylmethyl)-N,3-dipropylpiperidine-3-carboxamide
CID 55164307
N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63131813

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide (CID 63131904) is N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)N(CC)CCC#N)CCCNC1.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide?
The InChIKey is JCBICVWKXOCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-7-14(8-5-10-16-12-14)13(18)17(4-2)11-6-9-15/h16H,3-8,10-12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide?
N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63131904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).