N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide

C21H25N3O4 — CID 2193293

IUPACN-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-28-17-8-6-16(7-9-17)20(26)22-19-5-3-2-4-18(19)21(27)24-12-10-23(11-13-24)14-15-25/h2-9,25H,10-15H2,1H3,(H,22,26)
InChIKeyVYBHONXBMIVWCF-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.70
Rot. Bonds6

About N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide

N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide (PubChem CID 2193293) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
PubChem CID2193293
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-28-17-8-6-16(7-9-17)20(26)22-19-5-3-2-4-18(19)21(27)24-12-10-23(11-13-24)14-15-25/h2-9,25H,10-15H2,1H3,(H,22,26)
InChIKeyVYBHONXBMIVWCF-UHFFFAOYSA-N
XLogP1.70
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 35858455
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
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-(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
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide
CID 4935215
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 55859581
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide (CID 2193293) is N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide?
The InChIKey is VYBHONXBMIVWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-28-17-8-6-16(7-9-17)20(26)22-19-5-3-2-4-18(19)21(27)24-12-10-23(11-13-24)14-15-25/h2-9,25H,10-15H2,1H3,(H,22,26).
What are the key properties of N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide?
N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide has a molecular weight of 383.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 2193293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).