4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide

C29H34N4O — CID 144638395

IUPAC4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4CNCC(c5ccccc5)C4)cc3)cc2)CC1
InChIInChI=1S/C29H34N4O/c1-32-15-17-33(18-16-32)28-13-9-24(10-14-28)29(34)31-27-11-7-23(8-12-27)26-19-25(20-30-21-26)22-5-3-2-4-6-22/h2-14,25-26,30H,15-21H2,1H3,(H,31,34)/t25?,26-/m0/s1
InChIKeyIYGOEIPNJFQDPF-AMVUTOCUSA-N
MW454.62 g/mol
LogP4.55
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide

4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide (PubChem CID 144638395) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide
PubChem CID144638395
Molecular FormulaC29H34N4O
Molecular Weight454.62 g/mol
Exact Mass454.27
IUPAC Name4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4CNCC(c5ccccc5)C4)cc3)cc2)CC1
InChIInChI=1S/C29H34N4O/c1-32-15-17-33(18-16-32)28-13-9-24(10-14-28)29(34)31-27-11-7-23(8-12-27)26-19-25(20-30-21-26)22-5-3-2-4-6-22/h2-14,25-26,30H,15-21H2,1H3,(H,31,34)/t25?,26-/m0/s1
InChIKeyIYGOEIPNJFQDPF-AMVUTOCUSA-N
XLogP4.55
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide;trihydrochloride
CID 129012193
N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 90213032
4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide
CID 144638426
N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride
CID 118483782
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
N-(4-benzoylphenyl)-4-piperazin-1-ylbenzamide
CID 174547037
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide (CID 144638395) is 4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide is CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4CNCC(c5ccccc5)C4)cc3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide?
The InChIKey is IYGOEIPNJFQDPF-AMVUTOCUSA-N. The full InChI is InChI=1S/C29H34N4O/c1-32-15-17-33(18-16-32)28-13-9-24(10-14-28)29(34)31-27-11-7-23(8-12-27)26-19-25(20-30-21-26)22-5-3-2-4-6-22/h2-14,25-26,30H,15-21H2,1H3,(H,31,34)/t25?,26-/m0/s1.
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide?
4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide has a molecular weight of 454.62 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 144638395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).