(3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide

C22H24N4O2 — CID 1443860

IUPAC(3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCC[C@H](C(=O)Nc3cccc4ccccc34)C2)n1
InChIInChI=1S/C22H24N4O2/c1-15-13-20(28-2)25-22(23-15)26-12-6-9-17(14-26)21(27)24-19-11-5-8-16-7-3-4-10-18(16)19/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,24,27)/t17-/m0/s1
InChIKeySZZYNUAWVJMVQP-KRWDZBQOSA-N
MW376.46 g/mol
LogP3.80
Rot. Bonds4

About (3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide

(3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 1443860) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
PubChem CID1443860
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCOc1cc(C)nc(N2CCC[C@H](C(=O)Nc3cccc4ccccc34)C2)n1
InChIInChI=1S/C22H24N4O2/c1-15-13-20(28-2)25-22(23-15)26-12-6-9-17(14-26)21(27)24-19-11-5-8-16-7-3-4-10-18(16)19/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,24,27)/t17-/m0/s1
InChIKeySZZYNUAWVJMVQP-KRWDZBQOSA-N
XLogP3.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-bromophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443854
(3S)-N-(4-tert-butylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443906
(3R)-N-(4-tert-butylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443903
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7436064
(3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436060
(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93072981
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 3227361
1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 649779
1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 11317629
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 46610054
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070694

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 1443860) is (3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide is COc1cc(C)nc(N2CCC[C@H](C(=O)Nc3cccc4ccccc34)C2)n1.
What is the InChIKey of (3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?
The InChIKey is SZZYNUAWVJMVQP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-13-20(28-2)25-22(23-15)26-12-6-9-17(14-26)21(27)24-19-11-5-8-16-7-3-4-10-18(16)19/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,24,27)/t17-/m0/s1.
What are the key properties of (3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?
(3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 1443860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).