3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide

C22H26ClN3O2 — CID 119949567

IUPAC3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl
InChIInChI=1S/C22H26ClN3O2/c1-15-7-5-6-12-26(15)22(28)18-11-10-17(13-19(18)23)25-21(27)14-20(24)16-8-3-2-4-9-16/h2-4,8-11,13,15,20H,5-7,12,14,24H2,1H3,(H,25,27)
InChIKeyWJXAUGDWSXSBBO-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.38
Rot. Bonds5

About 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide

3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide (PubChem CID 119949567) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
PubChem CID119949567
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl
InChIInChI=1S/C22H26ClN3O2/c1-15-7-5-6-12-26(15)22(28)18-11-10-17(13-19(18)23)25-21(27)14-20(24)16-8-3-2-4-9-16/h2-4,8-11,13,15,20H,5-7,12,14,24H2,1H3,(H,25,27)
InChIKeyWJXAUGDWSXSBBO-UHFFFAOYSA-N
XLogP4.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide (CID 119949567) is 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide is CC1CCCCN1C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl.
What is the InChIKey of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide?
The InChIKey is WJXAUGDWSXSBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-15-7-5-6-12-26(15)22(28)18-11-10-17(13-19(18)23)25-21(27)14-20(24)16-8-3-2-4-9-16/h2-4,8-11,13,15,20H,5-7,12,14,24H2,1H3,(H,25,27).
What are the key properties of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide?
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide has a molecular weight of 399.92 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119949567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).