N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide

C28H42N4O2 — CID 10389834

IUPACN,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide
SMILESCCCNc1cccc([C@@H](c2ccc(C(=O)N(CC)CC)cc2)N2CCN(CCOC)CC2)c1
InChIInChI=1S/C28H42N4O2/c1-5-15-29-26-10-8-9-25(22-26)27(32-18-16-30(17-19-32)20-21-34-4)23-11-13-24(14-12-23)28(33)31(6-2)7-3/h8-14,22,27,29H,5-7,15-21H2,1-4H3/t27-/m1/s1
InChIKeyCZVFLBAEMPPBFJ-HHHXNRCGSA-N
MW466.67 g/mol
LogP4.34
Rot. Bonds12

About N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide

N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide (PubChem CID 10389834) has the molecular formula C28H42N4O2 and a molecular weight of 466.67 g/mol. Its IUPAC name is N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide
PubChem CID10389834
Molecular FormulaC28H42N4O2
Molecular Weight466.67 g/mol
Exact Mass466.33
IUPAC NameN,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide
SMILESCCCNc1cccc([C@@H](c2ccc(C(=O)N(CC)CC)cc2)N2CCN(CCOC)CC2)c1
InChIInChI=1S/C28H42N4O2/c1-5-15-29-26-10-8-9-25(22-26)27(32-18-16-30(17-19-32)20-21-34-4)23-11-13-24(14-12-23)28(33)31(6-2)7-3/h8-14,22,27,29H,5-7,15-21H2,1-4H3/t27-/m1/s1
InChIKeyCZVFLBAEMPPBFJ-HHHXNRCGSA-N
XLogP4.34
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[3-[(S)-[4-(diethylcarbamoyl)phenyl]-(4-propylpiperazin-1-yl)methyl]phenyl]carbamate
CID 11712442
N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide
CID 173193948
4-[[4-(diethylcarbamoyl)phenyl]-[3-(methoxycarbonylamino)phenyl]methyl]piperazine-1-carboxylic acid
CID 67244845
methyl N-[3-[(S)-[4-(diethylcarbamoyl)phenyl]-piperazin-1-ylmethyl]phenyl]carbamate
CID 58928490
methyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenyl]carbamate
CID 58928477
N,N-diethyl-4-[(R)-(4-prop-2-enylpiperazin-1-yl)-[3-(thiophen-2-ylmethylamino)phenyl]methyl]benzamide
CID 10097584
methyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]carbamate
CID 10006938
4-[(S)-(3-aminophenyl)-(4-methylpiperazin-1-yl)methyl]-N,N-diethylbenzamide
CID 58664222
[3-[[4-(diethylcarbamoyl)phenyl]-(4-ethylpiperazin-1-yl)methyl]phenyl] N-ethylcarbamate
CID 91007459
ethyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-piperazin-1-ylmethyl]phenyl]carbamate
CID 11669323
4-[(R)-(3-aminophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 10319981
methyl N-[3-[(4-benzylpiperazin-1-yl)-[4-(diethylcarbamoyl)phenyl]methyl]phenyl]-N-methylcarbamate;methyl N-[3-[[4-(diethylcarbamoyl)phenyl]-(4-methylpiperazin-1-yl)methyl]phenyl]carbamate
CID 157230546

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide (CID 10389834) is N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide is CCCNc1cccc([C@@H](c2ccc(C(=O)N(CC)CC)cc2)N2CCN(CCOC)CC2)c1.
What is the InChIKey of N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide?
The InChIKey is CZVFLBAEMPPBFJ-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H42N4O2/c1-5-15-29-26-10-8-9-25(22-26)27(32-18-16-30(17-19-32)20-21-34-4)23-11-13-24(14-12-23)28(33)31(6-2)7-3/h8-14,22,27,29H,5-7,15-21H2,1-4H3/t27-/m1/s1.
What are the key properties of N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide?
N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide has a molecular weight of 466.67 g/mol, XLogP of 4.34, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(R)-[4-(2-methoxyethyl)piperazin-1-yl]-[3-(propylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 10389834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).