4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

C22H26N4O2 — CID 55359299

IUPAC4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C22H26N4O2/c1-25-12-14-26(15-13-25)20-5-3-2-4-19(20)24-22(28)17-8-10-18(11-9-17)23-21(27)16-6-7-16/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyNGOYKQZXBDZKNX-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.04
Rot. Bonds5

About 4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 55359299) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID55359299
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C22H26N4O2/c1-25-12-14-26(15-13-25)20-5-3-2-4-19(20)24-22(28)17-8-10-18(11-9-17)23-21(27)16-6-7-16/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,23,27)(H,24,28)
InChIKeyNGOYKQZXBDZKNX-UHFFFAOYSA-N
XLogP3.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
N-(2-acetylphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 112760957
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55669195
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
CID 41430695
4-(cyclopropanecarbonylamino)-N-(2-phenylphenyl)benzamide
CID 78767990
4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55983758
4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide
CID 46442929
4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820339
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
CID 47993620
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 55359299) is 4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccccc2NC(=O)c2ccc(NC(=O)C3CC3)cc2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is NGOYKQZXBDZKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25-12-14-26(15-13-25)20-5-3-2-4-19(20)24-22(28)17-8-10-18(11-9-17)23-21(27)16-6-7-16/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 55359299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).