N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C20H26N4O — CID 94618620

IUPACN-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccccc1C[C@H](C)NC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N4O/c1-15-6-3-4-7-18(15)14-16(2)23-19(25)17-8-12-24(13-9-17)20-21-10-5-11-22-20/h3-7,10-11,16-17H,8-9,12-14H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyIOQHABUENLFTKK-INIZCTEOSA-N
MW338.45 g/mol
LogP2.75
Rot. Bonds5

About N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 94618620) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID94618620
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccccc1C[C@H](C)NC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N4O/c1-15-6-3-4-7-18(15)14-16(2)23-19(25)17-8-12-24(13-9-17)20-21-10-5-11-22-20/h3-7,10-11,16-17H,8-9,12-14H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyIOQHABUENLFTKK-INIZCTEOSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 98755620
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102218
N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 110675424
2-methyl-N-[1-(2-methylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 106739216
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 100907382
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 86858410
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107339
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 46989665
1-(4-methylpyrimidin-2-yl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 95082439
1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 134797703

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 94618620) is N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is Cc1ccccc1C[C@H](C)NC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is IOQHABUENLFTKK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-6-3-4-7-18(15)14-16(2)23-19(25)17-8-12-24(13-9-17)20-21-10-5-11-22-20/h3-7,10-11,16-17H,8-9,12-14H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 94618620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).