N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide

C27H31N5O2 — CID 60510762

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C27H31N5O2/c1-2-31-16-18-32(19-17-31)20-21-8-12-24(13-9-21)28-26(33)22-10-14-25(15-11-22)30-27(34)29-23-6-4-3-5-7-23/h3-15H,2,16-20H2,1H3,(H,28,33)(H2,29,30,34)
InChIKeyJNVWRSYPEDCBOJ-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.72
Rot. Bonds7

About N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 60510762) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID60510762
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C27H31N5O2/c1-2-31-16-18-32(19-17-31)20-21-8-12-24(13-9-21)28-26(33)22-10-14-25(15-11-22)30-27(34)29-23-6-4-3-5-7-23/h3-15H,2,16-20H2,1H3,(H,28,33)(H2,29,30,34)
InChIKeyJNVWRSYPEDCBOJ-UHFFFAOYSA-N
XLogP4.72
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55911957
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-N-phenylbenzamide
CID 38817450
4-(3,5-dimethylpyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55664687
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-fluoro-4-methoxybenzamide
CID 86982054
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 60510389
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
CID 55664564

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide (CID 60510762) is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide is CCN1CCN(Cc2ccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is JNVWRSYPEDCBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-2-31-16-18-32(19-17-31)20-21-8-12-24(13-9-21)28-26(33)22-10-14-25(15-11-22)30-27(34)29-23-6-4-3-5-7-23/h3-15H,2,16-20H2,1H3,(H,28,33)(H2,29,30,34).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 457.58 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 60510762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).