N-phenyl-N-piperidin-1-ium-4-ylpropanamide

C14H21N2O+ — CID 6992364

IUPACN-phenyl-N-piperidin-1-ium-4-ylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC[NH2+]CC1
InChIInChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3/p+1
InChIKeyPMCBDBWCQQBSRJ-UHFFFAOYSA-O
MW233.34 g/mol
LogP1.16
Rot. Bonds3

About N-phenyl-N-piperidin-1-ium-4-ylpropanamide

N-phenyl-N-piperidin-1-ium-4-ylpropanamide (PubChem CID 6992364) has the molecular formula C14H21N2O+ and a molecular weight of 233.34 g/mol. Its IUPAC name is N-phenyl-N-piperidin-1-ium-4-ylpropanamide.

Molecular Properties

Compound NameN-phenyl-N-piperidin-1-ium-4-ylpropanamide
PubChem CID6992364
Molecular FormulaC14H21N2O+
Molecular Weight233.34 g/mol
Exact Mass233.16
IUPAC NameN-phenyl-N-piperidin-1-ium-4-ylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC[NH2+]CC1
InChIInChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3/p+1
InChIKeyPMCBDBWCQQBSRJ-UHFFFAOYSA-O
XLogP1.16
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-phenyl-N-piperidin-1-ium-4-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-piperidin-1-ium-4-ylpropanamide?
The IUPAC name of N-phenyl-N-piperidin-1-ium-4-ylpropanamide (CID 6992364) is N-phenyl-N-piperidin-1-ium-4-ylpropanamide.
What is the SMILES notation for N-phenyl-N-piperidin-1-ium-4-ylpropanamide?
The canonical SMILES for N-phenyl-N-piperidin-1-ium-4-ylpropanamide is CCC(=O)N(c1ccccc1)C1CC[NH2+]CC1.
What is the InChIKey of N-phenyl-N-piperidin-1-ium-4-ylpropanamide?
The InChIKey is PMCBDBWCQQBSRJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3/p+1.
What are the key properties of N-phenyl-N-piperidin-1-ium-4-ylpropanamide?
N-phenyl-N-piperidin-1-ium-4-ylpropanamide has a molecular weight of 233.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-piperidin-1-ium-4-ylpropanamide is sourced from PubChem (CID 6992364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).