N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide

C30H32N4O3 — CID 24665509

IUPACN-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C30H32N4O3/c35-27(31-26-13-7-12-24(20-26)29(36)32-25-14-15-25)21-33-16-18-34(19-17-33)30(37)28(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,20,25,28H,14-19,21H2,(H,31,35)(H,32,36)
InChIKeyMCYIMPLAPWDGQE-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.49
Rot. Bonds8

About N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide

N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 24665509) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID24665509
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC NameN-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C30H32N4O3/c35-27(31-26-13-7-12-24(20-26)29(36)32-25-14-15-25)21-33-16-18-34(19-17-33)30(37)28(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,20,25,28H,14-19,21H2,(H,31,35)(H,32,36)
InChIKeyMCYIMPLAPWDGQE-UHFFFAOYSA-N
XLogP3.49
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 30704619
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 119906484
N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 27447667
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 37408790
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978
3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54817049
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851
N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 43048679

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide (CID 24665509) is N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide is O=C(CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is MCYIMPLAPWDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c35-27(31-26-13-7-12-24(20-26)29(36)32-25-14-15-25)21-33-16-18-34(19-17-33)30(37)28(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,20,25,28H,14-19,21H2,(H,31,35)(H,32,36).
What are the key properties of N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 496.61 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 24665509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).