N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide

C23H28N4O2 — CID 69315179

IUPACN-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-16-3-4-19(22(28)24-20-9-10-20)15-21(16)17-5-7-18(8-6-17)23(29)25-27-13-11-26(2)12-14-27/h3-8,15,20H,9-14H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyPKJNWXBJUBDSPP-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.45
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide

N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide (PubChem CID 69315179) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
PubChem CID69315179
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-16-3-4-19(22(28)24-20-9-10-20)15-21(16)17-5-7-18(8-6-17)23(29)25-27-13-11-26(2)12-14-27/h3-8,15,20H,9-14H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyPKJNWXBJUBDSPP-UHFFFAOYSA-N
XLogP2.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175
N-cyclopropyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078792
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
CID 142855177
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide
CID 142750926
N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
CID 91394925
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 10476224
N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
CID 134328558

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide (CID 69315179) is N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide?
The InChIKey is PKJNWXBJUBDSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-3-4-19(22(28)24-20-9-10-20)15-21(16)17-5-7-18(8-6-17)23(29)25-27-13-11-26(2)12-14-27/h3-8,15,20H,9-14H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide?
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 69315179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).