N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride

C21H27ClN4O2 — CID 119288571

IUPACN-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)c1ccc(NC(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C21H26N4O2.ClH/c1-15(23-20(26)17-6-5-13-22-14-17)16-9-11-19(12-10-16)25-21(27)24-18-7-3-2-4-8-18;/h2-4,7-12,15,17,22H,5-6,13-14H2,1H3,(H,23,26)(H2,24,25,27);1H
InChIKeyHYWLZMFWRKXKSR-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.93
Rot. Bonds5

About N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride

N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119288571) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119288571
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC NameN-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)c1ccc(NC(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C21H26N4O2.ClH/c1-15(23-20(26)17-6-5-13-22-14-17)16-9-11-19(12-10-16)25-21(27)24-18-7-3-2-4-8-18;/h2-4,7-12,15,17,22H,5-6,13-14H2,1H3,(H,23,26)(H2,24,25,27);1H
InChIKeyHYWLZMFWRKXKSR-UHFFFAOYSA-N
XLogP3.93
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride 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-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
CID 81118919
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300277
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119722017
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride (CID 119288571) is N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCCNC1)c1ccc(NC(=O)Nc2ccccc2)cc1.Cl.
What is the InChIKey of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is HYWLZMFWRKXKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.ClH/c1-15(23-20(26)17-6-5-13-22-14-17)16-9-11-19(12-10-16)25-21(27)24-18-7-3-2-4-8-18;/h2-4,7-12,15,17,22H,5-6,13-14H2,1H3,(H,23,26)(H2,24,25,27);1H.
What are the key properties of N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride?
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 402.93 g/mol, XLogP of 3.93, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119288571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).