N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide

C27H30N4O — CID 90213032

IUPACN-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@]4(N)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C27H30N4O/c1-30-15-17-31(18-16-30)24-13-9-21(10-14-24)26(32)29-23-11-7-20(8-12-23)25-19-27(25,28)22-5-3-2-4-6-22/h2-14,25H,15-19,28H2,1H3,(H,29,32)/t25-,27-/m0/s1
InChIKeyQNEBNIQEDVQMFF-BDYUSTAISA-N
MW426.56 g/mol
LogP4.03
Rot. Bonds5

About N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide

N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 90213032) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID90213032
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC NameN-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@]4(N)c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C27H30N4O/c1-30-15-17-31(18-16-30)24-13-9-21(10-14-24)26(32)29-23-11-7-20(8-12-23)25-19-27(25,28)22-5-3-2-4-6-22/h2-14,25H,15-19,28H2,1H3,(H,29,32)/t25-,27-/m0/s1
InChIKeyQNEBNIQEDVQMFF-BDYUSTAISA-N
XLogP4.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride
CID 118483782
4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide
CID 144638395
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide;trihydrochloride
CID 129012193
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
3,4-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 113199321
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 78804591
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide (CID 90213032) is N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@]4(N)c4ccccc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is QNEBNIQEDVQMFF-BDYUSTAISA-N. The full InChI is InChI=1S/C27H30N4O/c1-30-15-17-31(18-16-30)24-13-9-21(10-14-24)26(32)29-23-11-7-20(8-12-23)25-19-27(25,28)22-5-3-2-4-6-22/h2-14,25H,15-19,28H2,1H3,(H,29,32)/t25-,27-/m0/s1.
What are the key properties of N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 426.56 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 90213032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).