4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide

C27H38N4O — CID 10410679

IUPAC4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc([C@H](c2cccc(NC3CCCC3)c2)N2CCNCC2)cc1
InChIInChI=1S/C27H38N4O/c1-3-30(4-2)27(32)22-14-12-21(13-15-22)26(31-18-16-28-17-19-31)23-8-7-11-25(20-23)29-24-9-5-6-10-24/h7-8,11-15,20,24,26,28-29H,3-6,9-10,16-19H2,1-2H3/t26-/m1/s1
InChIKeyVORWYXRBCXAJNO-AREMUKBSSA-N
MW434.63 g/mol
LogP4.52
Rot. Bonds8

About 4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide

4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide (PubChem CID 10410679) has the molecular formula C27H38N4O and a molecular weight of 434.63 g/mol. Its IUPAC name is 4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide
PubChem CID10410679
Molecular FormulaC27H38N4O
Molecular Weight434.63 g/mol
Exact Mass434.30
IUPAC Name4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc([C@H](c2cccc(NC3CCCC3)c2)N2CCNCC2)cc1
InChIInChI=1S/C27H38N4O/c1-3-30(4-2)27(32)22-14-12-21(13-15-22)26(31-18-16-28-17-19-31)23-8-7-11-25(20-23)29-24-9-5-6-10-24/h7-8,11-15,20,24,26,28-29H,3-6,9-10,16-19H2,1-2H3/t26-/m1/s1
InChIKeyVORWYXRBCXAJNO-AREMUKBSSA-N
XLogP4.52
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[3-[(S)-[4-(diethylcarbamoyl)phenyl]-piperazin-1-ylmethyl]phenyl]carbamate
CID 58928490
ethyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-piperazin-1-ylmethyl]phenyl]carbamate
CID 11669323
N,N-diethyl-4-[(S)-[3-[(2-phenylacetyl)amino]phenyl]-piperazin-1-ylmethyl]benzamide
CID 10345250
N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide
CID 10618862
N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide
CID 69341375
4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10786358
4-[[4-(diethylcarbamoyl)phenyl]-[3-(methoxycarbonylamino)phenyl]methyl]piperazine-1-carboxylic acid
CID 67244845
4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide
CID 10691980
methyl N-[3-[(S)-[4-(diethylcarbamoyl)phenyl]-(4-propylpiperazin-1-yl)methyl]phenyl]carbamate
CID 11712442
4-[(R)-(3-aminophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 10319981
N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide
CID 10389834
4-[(S)-(3-aminophenyl)-(4-methylpiperazin-1-yl)methyl]-N,N-diethylbenzamide
CID 58664222

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide (CID 10410679) is 4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC3CCCC3)c2)N2CCNCC2)cc1.
What is the InChIKey of 4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide?
The InChIKey is VORWYXRBCXAJNO-AREMUKBSSA-N. The full InChI is InChI=1S/C27H38N4O/c1-3-30(4-2)27(32)22-14-12-21(13-15-22)26(31-18-16-28-17-19-31)23-8-7-11-25(20-23)29-24-9-5-6-10-24/h7-8,11-15,20,24,26,28-29H,3-6,9-10,16-19H2,1-2H3/t26-/m1/s1.
What are the key properties of 4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide?
4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide has a molecular weight of 434.63 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10410679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).