4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide

C24H30N4O3 — CID 46567938

IUPAC4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
SMILESCOc1ccc(N2CCN(C(=O)CN(Cc3ccc(C(N)=O)cc3)C3CC3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-31-22-10-8-20(9-11-22)26-12-14-27(15-13-26)23(29)17-28(21-6-7-21)16-18-2-4-19(5-3-18)24(25)30/h2-5,8-11,21H,6-7,12-17H2,1H3,(H2,25,30)
InChIKeySXIIJTQZMHOMLL-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.11
Rot. Bonds8

About 4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide

4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide (PubChem CID 46567938) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
PubChem CID46567938
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide
SMILESCOc1ccc(N2CCN(C(=O)CN(Cc3ccc(C(N)=O)cc3)C3CC3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-31-22-10-8-20(9-11-22)26-12-14-27(15-13-26)23(29)17-28(21-6-7-21)16-18-2-4-19(5-3-18)24(25)30/h2-5,8-11,21H,6-7,12-17H2,1H3,(H2,25,30)
InChIKeySXIIJTQZMHOMLL-UHFFFAOYSA-N
XLogP2.11
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158386
N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159295
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 27082850
2-[(1,1-dioxothiolan-3-yl)-[(4-methoxyphenyl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 78826539
4-[[cyclopropyl-(3-morpholin-4-yl-3-oxopropyl)amino]methyl]benzamide
CID 46479991
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 8770055
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 126067728
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7998596
3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 51171015
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide (CID 46567938) is 4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide is COc1ccc(N2CCN(C(=O)CN(Cc3ccc(C(N)=O)cc3)C3CC3)CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is SXIIJTQZMHOMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-31-22-10-8-20(9-11-22)26-12-14-27(15-13-26)23(29)17-28(21-6-7-21)16-18-2-4-19(5-3-18)24(25)30/h2-5,8-11,21H,6-7,12-17H2,1H3,(H2,25,30).
What are the key properties of 4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide?
4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 46567938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).