1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C21H26N4O — CID 3697521

IUPAC1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NC3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C21H26N4O/c1-15-9-12-22-21(23-15)25-13-10-17(11-14-25)20(26)24-19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9,12,17,19H,4,6,8,10-11,13-14H2,1H3,(H,24,26)
InChIKeyLFHUNTREWJWNRF-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.20
Rot. Bonds3

About 1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 3697521) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID3697521
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NC3CCCc4ccccc43)CC2)n1
InChIInChI=1S/C21H26N4O/c1-15-9-12-22-21(23-15)25-13-10-17(11-14-25)20(26)24-19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9,12,17,19H,4,6,8,10-11,13-14H2,1H3,(H,24,26)
InChIKeyLFHUNTREWJWNRF-UHFFFAOYSA-N
XLogP3.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 53010327
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 20889496
1-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 51687317
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 131896030
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9192383
1-[(4-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024025
1-(dimethylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 93487580
1-(4-methylpyrimidin-2-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95082439
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 42951483
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 7092142

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 3697521) is 1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)NC3CCCc4ccccc43)CC2)n1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is LFHUNTREWJWNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-9-12-22-21(23-15)25-13-10-17(11-14-25)20(26)24-19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,9,12,17,19H,4,6,8,10-11,13-14H2,1H3,(H,24,26).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3697521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).