N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide

C25H32N4O3 — CID 42757134

IUPACN-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)C(C)C)cc2C(=O)NC2CC2)CC1
InChIInChI=1S/C25H32N4O3/c1-17(2)24(30)27-19-10-11-21(20(16-19)25(31)26-18-8-9-18)28-12-14-29(15-13-28)22-6-4-5-7-23(22)32-3/h4-7,10-11,16-18H,8-9,12-15H2,1-3H3,(H,26,31)(H,27,30)
InChIKeySKAAVOUYERIFQE-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.51
Rot. Bonds7

About N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide

N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide (PubChem CID 42757134) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
PubChem CID42757134
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)C(C)C)cc2C(=O)NC2CC2)CC1
InChIInChI=1S/C25H32N4O3/c1-17(2)24(30)27-19-10-11-21(20(16-19)25(31)26-18-8-9-18)28-12-14-29(15-13-28)22-6-4-5-7-23(22)32-3/h4-7,10-11,16-18H,8-9,12-15H2,1-3H3,(H,26,31)(H,27,30)
InChIKeySKAAVOUYERIFQE-UHFFFAOYSA-N
XLogP3.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chloro-2-phenylacetyl)amino]-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4612240
5-[(2-bromobenzoyl)amino]-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 1066531
N-cyclopropyl-5-[(2,4-dichlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42757365
N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 1066513
N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 3960007
5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3875300
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 4687386
N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4236569
5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42757363
N-cyclohexyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42659981
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5206586
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
CID 5032555

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide (CID 42757134) is N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)C(C)C)cc2C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide?
The InChIKey is SKAAVOUYERIFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17(2)24(30)27-19-10-11-21(20(16-19)25(31)26-18-8-9-18)28-12-14-29(15-13-28)22-6-4-5-7-23(22)32-3/h4-7,10-11,16-18H,8-9,12-15H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide?
N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide has a molecular weight of 436.56 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 42757134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).