N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide

C24H31N3O3 — CID 4935215

IUPACN-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-3-4-7-18-30-20-12-10-19(11-13-20)23(28)25-22-9-6-5-8-21(22)24(29)27-16-14-26(2)15-17-27/h5-6,8-13H,3-4,7,14-18H2,1-2H3,(H,25,28)
InChIKeyYIPWNFOCALHXHX-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.90
Rot. Bonds8

About N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide (PubChem CID 4935215) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide
PubChem CID4935215
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-3-4-7-18-30-20-12-10-19(11-13-20)23(28)25-22-9-6-5-8-21(22)24(29)27-16-14-26(2)15-17-27/h5-6,8-13H,3-4,7,14-18H2,1-2H3,(H,25,28)
InChIKeyYIPWNFOCALHXHX-UHFFFAOYSA-N
XLogP3.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4935150
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-4-butoxybenzamide
CID 17388059
3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 30335564
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 2193293
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 39652535
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide?
The IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide (CID 4935215) is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide?
The canonical SMILES for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide?
The InChIKey is YIPWNFOCALHXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-4-7-18-30-20-12-10-19(11-13-20)23(28)25-22-9-6-5-8-21(22)24(29)27-16-14-26(2)15-17-27/h5-6,8-13H,3-4,7,14-18H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide?
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide has a molecular weight of 409.53 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide is sourced from PubChem (CID 4935215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).