N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide

C29H30N2O2 — CID 71101192

IUPACN-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)[C@@H]2CCC(c3ccccc3)c3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C29H30N2O2/c32-28(22-11-5-2-6-12-22)30-23-17-19-31(20-18-23)29(33)27-16-15-24(21-9-3-1-4-10-21)25-13-7-8-14-26(25)27/h1-14,23-24,27H,15-20H2,(H,30,32)/t24?,27-/m1/s1
InChIKeyKIRWURVZLJVMOZ-LFHRXCRSSA-N
MW438.57 g/mol
LogP5.12
Rot. Bonds4

About N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide

N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide (PubChem CID 71101192) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide
PubChem CID71101192
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC NameN-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)[C@@H]2CCC(c3ccccc3)c3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C29H30N2O2/c32-28(22-11-5-2-6-12-22)30-23-17-19-31(20-18-23)29(33)27-16-15-24(21-9-3-1-4-10-21)25-13-7-8-14-26(25)27/h1-14,23-24,27H,15-20H2,(H,30,32)/t24?,27-/m1/s1
InChIKeyKIRWURVZLJVMOZ-LFHRXCRSSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylethenamine;1-methyl-2-oxo-N-[1-[(1S,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide
CID 143660060
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
N-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]benzamide
CID 123463757
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide
CID 51315508
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide (CID 71101192) is N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)[C@@H]2CCC(c3ccccc3)c3ccccc32)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is KIRWURVZLJVMOZ-LFHRXCRSSA-N. The full InChI is InChI=1S/C29H30N2O2/c32-28(22-11-5-2-6-12-22)30-23-17-19-31(20-18-23)29(33)27-16-15-24(21-9-3-1-4-10-21)25-13-7-8-14-26(25)27/h1-14,23-24,27H,15-20H2,(H,30,32)/t24?,27-/m1/s1.
What are the key properties of N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide?
N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 438.57 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R)-4-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 71101192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).