(3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide

C19H28N2O2 — CID 97334309

IUPAC(3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide
SMILESC[C@@]1(CNC(=O)N2CCC[C@@H](CO)C2)CCCc2ccccc21
InChIInChI=1S/C19H28N2O2/c1-19(10-4-8-16-7-2-3-9-17(16)19)14-20-18(23)21-11-5-6-15(12-21)13-22/h2-3,7,9,15,22H,4-6,8,10-14H2,1H3,(H,20,23)/t15-,19+/m1/s1
InChIKeyYOMUPYJLABCGHD-BEFAXECRSA-N
MW316.44 g/mol
LogP2.69
Rot. Bonds3

About (3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide

(3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 97334309) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide
PubChem CID97334309
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide
SMILESC[C@@]1(CNC(=O)N2CCC[C@@H](CO)C2)CCCc2ccccc21
InChIInChI=1S/C19H28N2O2/c1-19(10-4-8-16-7-2-3-9-17(16)19)14-20-18(23)21-11-5-6-15(12-21)13-22/h2-3,7,9,15,22H,4-6,8,10-14H2,1H3,(H,20,23)/t15-,19+/m1/s1
InChIKeyYOMUPYJLABCGHD-BEFAXECRSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-3-(hydroxymethyl)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]piperidine-1-carboxamide
CID 97225923
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517
1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97333247
3-(hydroxymethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 111443978
2-methyl-3-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-oxopropanoic acid
CID 122066718
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013
4-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 122032364
cis-(1R,3S)-1-amino-3-hydroxy-2,2-dimethyl-N-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]cyclobutane-1-carboxamide
CID 166355058
(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96543593
3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443730
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443732
3-N-methyl-1-N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)piperidine-1,3-dicarboxamide
CID 71855559

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide (CID 97334309) is (3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide is C[C@@]1(CNC(=O)N2CCC[C@@H](CO)C2)CCCc2ccccc21.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is YOMUPYJLABCGHD-BEFAXECRSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(10-4-8-16-7-2-3-9-17(16)19)14-20-18(23)21-11-5-6-15(12-21)13-22/h2-3,7,9,15,22H,4-6,8,10-14H2,1H3,(H,20,23)/t15-,19+/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide?
(3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-[[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97334309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).