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

C28H30N2O — CID 144638426

IUPAC4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@@H]4c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C28H30N2O/c1-30-17-15-21(16-18-30)20-7-9-24(10-8-20)28(31)29-25-13-11-23(12-14-25)27-19-26(27)22-5-3-2-4-6-22/h2-14,21,26-27H,15-19H2,1H3,(H,29,31)/t26-,27+/m1/s1
InChIKeyRGMCMGXYUMXWNT-SXOMAYOGSA-N
MW410.56 g/mol
LogP6.02
Rot. Bonds5

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

4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide (PubChem CID 144638426) has the molecular formula C28H30N2O and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide
PubChem CID144638426
Molecular FormulaC28H30N2O
Molecular Weight410.56 g/mol
Exact Mass410.24
IUPAC Name4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@@H]4c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C28H30N2O/c1-30-17-15-21(16-18-30)20-7-9-24(10-8-20)28(31)29-25-13-11-23(12-14-25)27-19-26(27)22-5-3-2-4-6-22/h2-14,21,26-27H,15-19H2,1H3,(H,29,31)/t26-,27+/m1/s1
InChIKeyRGMCMGXYUMXWNT-SXOMAYOGSA-N
XLogP6.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-(2-phenylcyclopropyl)phenyl]benzamide
CID 144638374
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide
CID 144638395
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
N-(4-cyclohexylphenyl)benzamide
CID 10333838
2-[4-(1-methylpiperidin-4-yl)phenyl]cyclopropane-1-carboxylic acid
CID 116988137
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide;trihydrochloride
CID 129012193
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
4-[(1R,2R)-2-phenylcyclopropyl]benzohydrazide
CID 1386818

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide (CID 144638426) is 4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide is CN1CCC(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@@H]4c4ccccc4)cc3)cc2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide?
The InChIKey is RGMCMGXYUMXWNT-SXOMAYOGSA-N. The full InChI is InChI=1S/C28H30N2O/c1-30-17-15-21(16-18-30)20-7-9-24(10-8-20)28(31)29-25-13-11-23(12-14-25)27-19-26(27)22-5-3-2-4-6-22/h2-14,21,26-27H,15-19H2,1H3,(H,29,31)/t26-,27+/m1/s1.
What are the key properties of 4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide?
4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide has a molecular weight of 410.56 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide is sourced from PubChem (CID 144638426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).