(S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide

C25H28N2O2 — CID 44426500

IUPACN-[1-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-yl]naphthalene-1-carboxamide
SMILESCC[C@](C1=CC=CC=C1)(N2CCC(CC2)NC(=O)C3=CC=CC4=CC=CC=C43)O
InChIInChI=1S/C25H28N2O2/c1-2-25(29,20-11-4-3-5-12-20)27-17-15-21(16-18-27)26-24(28)23-14-8-10-19-9-6-7-13-22(19)23/h3-14,21,29H,2,15-18H2,1H3,(H,26,28)/t25-/m0/s1
InChIKeyGZABSIWUPRMDGW-VWLOTQADSA-N
MW388.50 g/mol
LogP4.70
Rot. Bonds5

About (S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide

(S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide (PubChem CID 44426500) has the molecular formula C25H28N2O2 and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[1-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name(S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide
PubChem CID44426500
Molecular FormulaC25H28N2O2
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC NameN-[1-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-yl]naphthalene-1-carboxamide
SMILESCC[C@](C1=CC=CC=C1)(N2CCC(CC2)NC(=O)C3=CC=CC4=CC=CC=C43)O
InChIInChI=1S/C25H28N2O2/c1-2-25(29,20-11-4-3-5-12-20)27-17-15-21(16-18-27)26-24(28)23-14-8-10-19-9-6-7-13-22(19)23/h3-14,21,29H,2,15-18H2,1H3,(H,26,28)/t25-/m0/s1
InChIKeyGZABSIWUPRMDGW-VWLOTQADSA-N
XLogP4.70
TPSA52.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity539

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-(1-phenethylpiperidin-4-yl)-1-naphthamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
2'-Phenethylcarbamoyl-biphenyl-2-carboxylic acid
CID 823506
N-(1-(1-phenylethyl)piperidin-4-yl)-1-naphthamide
CID 44426498
N-(1-(4-phenylbutyl)piperidin-4-yl)-1-naphthamide
CID 44426502
N-(1-(1-phenylethyl)piperidin-4-yl)-2-naphthamide
CID 44426508
N-(1-(4-phenylbutyl)piperidin-4-yl)-2-naphthamide
CID 44426510
N-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-3-ylmethyl}-benzamide
CID 10884964
N-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)benzamide
CID 2729502
6-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]naphthalene-2-carboxylic acid
CID 5280297
N-(1-benzylpiperidin-4-yl)naphthalene-1-carboxamide
CID 4064333

Frequently Asked Questions

What is the IUPAC name of (S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide?
The IUPAC name of (S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide (CID 44426500) is N-[1-[(1S)-1-hydroxy-1-phenylpropyl]piperidin-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for (S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide?
The canonical SMILES for (S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide is CC[C@](C1=CC=CC=C1)(N2CCC(CC2)NC(=O)C3=CC=CC4=CC=CC=C43)O.
What is the InChIKey of (S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide?
The InChIKey is GZABSIWUPRMDGW-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-2-25(29,20-11-4-3-5-12-20)27-17-15-21(16-18-27)26-24(28)23-14-8-10-19-9-6-7-13-22(19)23/h3-14,21,29H,2,15-18H2,1H3,(H,26,28)/t25-/m0/s1.
What are the key properties of (S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide?
(S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide has a molecular weight of 388.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide is sourced from PubChem (CID 44426500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).