N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide

C23H31N3O — CID 10690216

IUPACN,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
InChIKeyADYWDZJRWKEHMW-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.51
Rot. Bonds6

About N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide

N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide (PubChem CID 10690216) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide
PubChem CID10690216
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
InChIKeyADYWDZJRWKEHMW-UHFFFAOYSA-N
XLogP3.51
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide (CID 10690216) is N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide is CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(C)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide?
The InChIKey is ADYWDZJRWKEHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3.
What are the key properties of N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide?
N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide has a molecular weight of 365.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 10690216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).