4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide

C25H26N4O3 — CID 35858455

IUPAC4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C25H26N4O3/c1-32-21-8-6-20(7-9-21)24(30)27-23-5-3-2-4-22(23)25(31)29-16-14-28(15-17-29)18-19-10-12-26-13-11-19/h2-13H,14-18H2,1H3,(H,27,30)
InChIKeyUBZJZUIEZYLYHN-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.30
Rot. Bonds6

About 4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide

4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 35858455) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
PubChem CID35858455
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C25H26N4O3/c1-32-21-8-6-20(7-9-21)24(30)27-23-5-3-2-4-22(23)25(31)29-16-14-28(15-17-29)18-19-10-12-26-13-11-19/h2-13H,14-18H2,1H3,(H,27,30)
InChIKeyUBZJZUIEZYLYHN-UHFFFAOYSA-N
XLogP3.30
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 2193293
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55628552
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38099909
(2-bromo-5-methoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856193
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 38099687
N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 56504081
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-4-methoxybenzamide
CID 120659632

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide (CID 35858455) is 4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is UBZJZUIEZYLYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-32-21-8-6-20(7-9-21)24(30)27-23-5-3-2-4-22(23)25(31)29-16-14-28(15-17-29)18-19-10-12-26-13-11-19/h2-13H,14-18H2,1H3,(H,27,30).
What are the key properties of 4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide?
4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 35858455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).