1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C27H30N4O — CID 53010327

IUPAC1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCc1cccc(-c2cnc(N3CCC(C(=O)NC4CCCc5ccccc54)CC3)nc2)c1
InChIInChI=1S/C27H30N4O/c1-19-6-4-9-22(16-19)23-17-28-27(29-18-23)31-14-12-21(13-15-31)26(32)30-25-11-5-8-20-7-2-3-10-24(20)25/h2-4,6-7,9-10,16-18,21,25H,5,8,11-15H2,1H3,(H,30,32)
InChIKeyAZZWCLFRRMAEGY-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.86
Rot. Bonds4

About 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 53010327) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID53010327
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCc1cccc(-c2cnc(N3CCC(C(=O)NC4CCCc5ccccc54)CC3)nc2)c1
InChIInChI=1S/C27H30N4O/c1-19-6-4-9-22(16-19)23-17-28-27(29-18-23)31-14-12-21(13-15-31)26(32)30-25-11-5-8-20-7-2-3-10-24(20)25/h2-4,6-7,9-10,16-18,21,25H,5,8,11-15H2,1H3,(H,30,32)
InChIKeyAZZWCLFRRMAEGY-UHFFFAOYSA-N
XLogP4.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 20972451
1-(4-methylpyrimidin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3697521
1-[(3-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024023
4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95086250
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
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9192383
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide
CID 53107235
N-[2-(diethylamino)ethyl]-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53107274
1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 131896030
1-[(4-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024025
N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53010331

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 53010327) is 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is Cc1cccc(-c2cnc(N3CCC(C(=O)NC4CCCc5ccccc54)CC3)nc2)c1.
What is the InChIKey of 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is AZZWCLFRRMAEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-19-6-4-9-22(16-19)23-17-28-27(29-18-23)31-14-12-21(13-15-31)26(32)30-25-11-5-8-20-7-2-3-10-24(20)25/h2-4,6-7,9-10,16-18,21,25H,5,8,11-15H2,1H3,(H,30,32).
What are the key properties of 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53010327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).