N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide

C29H31FN2O2 — CID 122181078

IUPACN-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1C[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H](O)C2)c1ccc(F)cc1
InChIInChI=1S/C29H31FN2O2/c30-24-11-9-22(10-12-24)29(34)31-26-8-4-7-23-18-28(33)27(19-25(23)26)32-15-13-21(14-16-32)17-20-5-2-1-3-6-20/h1-12,21,27-28,33H,13-19H2,(H,31,34)/t27-,28-/m1/s1
InChIKeySXTDPZPDZBHFKH-VSGBNLITSA-N
MW458.58 g/mol
LogP4.86
Rot. Bonds5

About N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide

N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide (PubChem CID 122181078) has the molecular formula C29H31FN2O2 and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide
PubChem CID122181078
Molecular FormulaC29H31FN2O2
Molecular Weight458.58 g/mol
Exact Mass458.24
IUPAC NameN-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1C[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H](O)C2)c1ccc(F)cc1
InChIInChI=1S/C29H31FN2O2/c30-24-11-9-22(10-12-24)29(34)31-26-8-4-7-23-18-28(33)27(19-25(23)26)32-15-13-21(14-16-32)17-20-5-2-1-3-6-20/h1-12,21,27-28,33H,13-19H2,(H,31,34)/t27-,28-/m1/s1
InChIKeySXTDPZPDZBHFKH-VSGBNLITSA-N
XLogP4.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030
N-(2,4-difluorophenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 59058079
3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 3436224
N-[4-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidine-1-carbonyl)phenyl]-4-fluorobenzamide
CID 4209218
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
N-[3-[(4-benzylpiperidin-1-yl)-(4-fluorophenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4672709
[1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride
CID 46197563
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-[2-(cyclopropylmethyl)phenyl]benzamide
CID 91703615

Frequently Asked Questions

What is the IUPAC name of N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide?
The IUPAC name of N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide (CID 122181078) is N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide is O=C(Nc1cccc2c1C[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H](O)C2)c1ccc(F)cc1.
What is the InChIKey of N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide?
The InChIKey is SXTDPZPDZBHFKH-VSGBNLITSA-N. The full InChI is InChI=1S/C29H31FN2O2/c30-24-11-9-22(10-12-24)29(34)31-26-8-4-7-23-18-28(33)27(19-25(23)26)32-15-13-21(14-16-32)17-20-5-2-1-3-6-20/h1-12,21,27-28,33H,13-19H2,(H,31,34)/t27-,28-/m1/s1.
What are the key properties of N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide?
N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide has a molecular weight of 458.58 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R,7R)-7-(4-benzylpiperidin-1-yl)-6-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide is sourced from PubChem (CID 122181078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).