N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide

C29H35N5O — CID 26345013

IUPACN-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N2CCC(N3CCN(c4ccccn4)CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C29H35N5O/c1-23(24-7-3-2-4-8-24)31-29(35)25-10-12-26(13-11-25)32-17-14-27(15-18-32)33-19-21-34(22-20-33)28-9-5-6-16-30-28/h2-13,16,23,27H,14-15,17-22H2,1H3,(H,31,35)/t23-/m1/s1
InChIKeyFMHZGQROUXLATO-HSZRJFAPSA-N
MW469.63 g/mol
LogP4.36
Rot. Bonds6

About N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide

N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide (PubChem CID 26345013) has the molecular formula C29H35N5O and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide
PubChem CID26345013
Molecular FormulaC29H35N5O
Molecular Weight469.63 g/mol
Exact Mass469.28
IUPAC NameN-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N2CCC(N3CCN(c4ccccn4)CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C29H35N5O/c1-23(24-7-3-2-4-8-24)31-29(35)25-10-12-26(13-11-25)32-17-14-27(15-18-32)33-19-21-34(22-20-33)28-9-5-6-16-30-28/h2-13,16,23,27H,14-15,17-22H2,1H3,(H,31,35)/t23-/m1/s1
InChIKeyFMHZGQROUXLATO-HSZRJFAPSA-N
XLogP4.36
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide with MolForge

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Related Compounds

N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 125169678
4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 45235166
N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 23851243
N-[(1S)-3-oxo-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
CID 26009471
3-phenyl-3-[[4-(4-piperidin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 54511221
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188874
N-cyclopentyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)piperidin-1-yl]benzamide
CID 42278079
4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide (CID 26345013) is N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide is C[C@@H](NC(=O)c1ccc(N2CCC(N3CCN(c4ccccn4)CC3)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide?
The InChIKey is FMHZGQROUXLATO-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H35N5O/c1-23(24-7-3-2-4-8-24)31-29(35)25-10-12-26(13-11-25)32-17-14-27(15-18-32)33-19-21-34(22-20-33)28-9-5-6-16-30-28/h2-13,16,23,27H,14-15,17-22H2,1H3,(H,31,35)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide?
N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide has a molecular weight of 469.63 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-4-[4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]benzamide is sourced from PubChem (CID 26345013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).