N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide

C25H35N3O — CID 173193948

IUPACN,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide
SMILESCCCN1CCN([C@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C25H35N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3/t24-/m1/s1
InChIKeyIQBKPSJJCJIRLC-XMMPIXPASA-N
MW393.58 g/mol
LogP4.29
Rot. Bonds8

About N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide

N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide (PubChem CID 173193948) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide
PubChem CID173193948
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC NameN,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide
SMILESCCCN1CCN([C@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C25H35N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3/t24-/m1/s1
InChIKeyIQBKPSJJCJIRLC-XMMPIXPASA-N
XLogP4.29
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
4-[(R)-(3-aminophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 10319981
[3-[(4-benzylpiperazin-1-yl)-[4-(diethylcarbamoyl)phenyl]methyl]phenyl] N-methylcarbamate
CID 91059107
4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10786358
[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-methylcarbamic acid
CID 67242524
N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide
CID 69341375
N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide
CID 67967833
[3-[[4-(diethylcarbamoyl)phenyl]-(4-ethylpiperazin-1-yl)methyl]phenyl] N-ethylcarbamate
CID 91007459

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide (CID 173193948) is N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide is CCCN1CCN([C@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide?
The InChIKey is IQBKPSJJCJIRLC-XMMPIXPASA-N. The full InChI is InChI=1S/C25H35N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3/t24-/m1/s1.
What are the key properties of N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide?
N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide has a molecular weight of 393.58 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 173193948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).