N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide

C24H26N4O2 — CID 648576

IUPACN-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-17-16-22(27-23(25-17)18-6-4-3-5-7-18)28-14-12-19(13-15-28)24(29)26-20-8-10-21(30-2)11-9-20/h3-11,16,19H,12-15H2,1-2H3,(H,26,29)
InChIKeyVOXASORLEYEXOW-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.32
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 648576) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID648576
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C24H26N4O2/c1-17-16-22(27-23(25-17)18-6-4-3-5-7-18)28-14-12-19(13-15-28)24(29)26-20-8-10-21(30-2)11-9-20/h3-11,16,19H,12-15H2,1-2H3,(H,26,29)
InChIKeyVOXASORLEYEXOW-UHFFFAOYSA-N
XLogP4.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CP-31398
CID 9950868
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 11417694
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
CID 154815704
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20298122
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 44433472
4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one
CID 71543088
4-[2-(Ethylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one
CID 137653815
N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)quinazolin-2-amine hydrochloride
CID 6602960

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide (CID 648576) is N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is VOXASORLEYEXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-16-22(27-23(25-17)18-6-4-3-5-7-18)28-14-12-19(13-15-28)24(29)26-20-8-10-21(30-2)11-9-20/h3-11,16,19H,12-15H2,1-2H3,(H,26,29).
What are the key properties of N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 648576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).