N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide

C18H25N3O — CID 86921194

IUPACN-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide
SMILESCC(C(=O)N(C)CCC#N)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O/c1-15(18(22)20(2)12-6-11-19)21-13-9-17(10-14-21)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-10,12-14H2,1-2H3
InChIKeyDLAQLKWSHIEAJT-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.63
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide

N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide (PubChem CID 86921194) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide
PubChem CID86921194
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide
SMILESCC(C(=O)N(C)CCC#N)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O/c1-15(18(22)20(2)12-6-11-19)21-13-9-17(10-14-21)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-10,12-14H2,1-2H3
InChIKeyDLAQLKWSHIEAJT-UHFFFAOYSA-N
XLogP2.63
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide (CID 86921194) is N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide is CC(C(=O)N(C)CCC#N)N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide?
The InChIKey is DLAQLKWSHIEAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-15(18(22)20(2)12-6-11-19)21-13-9-17(10-14-21)16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-10,12-14H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide?
N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide has a molecular weight of 299.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)propanamide is sourced from PubChem (CID 86921194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).