N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide

C17H23N3O — CID 62212277

IUPACN-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide
SMILESCC(NC(=O)CCC1CCNCC1)c1ccc(C#N)cc1
InChIInChI=1S/C17H23N3O/c1-13(16-5-2-15(12-18)3-6-16)20-17(21)7-4-14-8-10-19-11-9-14/h2-3,5-6,13-14,19H,4,7-11H2,1H3,(H,20,21)
InChIKeyIVYFVPWYMQPJCD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide

N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide (PubChem CID 62212277) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide
PubChem CID62212277
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide
SMILESCC(NC(=O)CCC1CCNCC1)c1ccc(C#N)cc1
InChIInChI=1S/C17H23N3O/c1-13(16-5-2-15(12-18)3-6-16)20-17(21)7-4-14-8-10-19-11-9-14/h2-3,5-6,13-14,19H,4,7-11H2,1H3,(H,20,21)
InChIKeyIVYFVPWYMQPJCD-UHFFFAOYSA-N
XLogP2.52
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide (CID 62212277) is N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide is CC(NC(=O)CCC1CCNCC1)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide?
The InChIKey is IVYFVPWYMQPJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(16-5-2-15(12-18)3-6-16)20-17(21)7-4-14-8-10-19-11-9-14/h2-3,5-6,13-14,19H,4,7-11H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide?
N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide has a molecular weight of 285.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62212277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).