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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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).