4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide

C29H40N4O3 — CID 57397290

IUPAC4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(CCOC)CC2)cc1
InChIInChI=1S/C29H40N4O3/c1-4-32(5-2)29(35)24-13-9-22(10-14-24)27(33-17-15-31(16-18-33)19-20-36-3)25-7-6-8-26(21-25)30-28(34)23-11-12-23/h6-10,13-14,21,23,27H,4-5,11-12,15-20H2,1-3H3,(H,30,34)/t27-/m1/s1
InChIKeyQUWPLISUQKXNEA-HHHXNRCGSA-N
MW492.66 g/mol
LogP3.87
Rot. Bonds11

About 4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide

4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide (PubChem CID 57397290) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is 4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
PubChem CID57397290
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC Name4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(CCOC)CC2)cc1
InChIInChI=1S/C29H40N4O3/c1-4-32(5-2)29(35)24-13-9-22(10-14-24)27(33-17-15-31(16-18-33)19-20-36-3)25-7-6-8-26(21-25)30-28(34)23-11-12-23/h6-10,13-14,21,23,27H,4-5,11-12,15-20H2,1-3H3,(H,30,34)/t27-/m1/s1
InChIKeyQUWPLISUQKXNEA-HHHXNRCGSA-N
XLogP3.87
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide 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

(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide
CID 9949648
Azd-2327
CID 11525765
N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide
CID 25023852
4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 57392006
N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide
CID 57397288
4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 57400694
N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
CID 2212314
N-(2-aminophenyl)-4-(1-{[4-(ethylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25010550
N-(2-aminophenyl)-4-(1-{[4-(dimethylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25023857
N-(2-aminophenyl)-4-(1-{[4-(cyclopropylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25023858
N-(2-aminophenyl)-4-(1-{[4-(methylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25023859
N-(cyanomethyl)-4-methyl-2-{3-[3-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 10992823

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide (CID 57397290) is 4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)N2CCN(CCOC)CC2)cc1.
What is the InChIKey of 4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide?
The InChIKey is QUWPLISUQKXNEA-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H40N4O3/c1-4-32(5-2)29(35)24-13-9-22(10-14-24)27(33-17-15-31(16-18-33)19-20-36-3)25-7-6-8-26(21-25)30-28(34)23-11-12-23/h6-10,13-14,21,23,27H,4-5,11-12,15-20H2,1-3H3,(H,30,34)/t27-/m1/s1.
What are the key properties of 4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide?
4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide has a molecular weight of 492.66 g/mol, XLogP of 3.87, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 57397290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).