N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide

C25H33N5O — CID 118254774

IUPACN-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide
SMILESCC1(NC(=O)C2CCN(c3cccc(-c4cncnc4)c3)CC2)CCN2CCC1CC2
InChIInChI=1S/C25H33N5O/c1-25(9-14-29-10-7-22(25)8-11-29)28-24(31)19-5-12-30(13-6-19)23-4-2-3-20(15-23)21-16-26-18-27-17-21/h2-4,15-19,22H,5-14H2,1H3,(H,28,31)
InChIKeyLNESAVZHMXUUSI-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.35
Rot. Bonds4

About N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide

N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide (PubChem CID 118254774) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide
PubChem CID118254774
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC NameN-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide
SMILESCC1(NC(=O)C2CCN(c3cccc(-c4cncnc4)c3)CC2)CCN2CCC1CC2
InChIInChI=1S/C25H33N5O/c1-25(9-14-29-10-7-22(25)8-11-29)28-24(31)19-5-12-30(13-6-19)23-4-2-3-20(15-23)21-16-26-18-27-17-21/h2-4,15-19,22H,5-14H2,1H3,(H,28,31)
InChIKeyLNESAVZHMXUUSI-UHFFFAOYSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-fluorophenyl)phenyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperazine-1-carboxamide
CID 118254683
1-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
CID 118254907
4-fluoro-1-[5-(4-fluorophenoxy)-3-pyridinyl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
CID 118254769
1-[5-fluoro-4-[4-(3-methoxypropoxy)phenyl]pyrimidin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
CID 118254787
1-[5-fluoro-4-[4-(2-methoxyethoxymethyl)phenyl]pyrimidin-2-yl]-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)piperidine-4-carboxamide
CID 118254719
N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384741
cyclopropyl-[4-hydroxy-4-[[2-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 150877264
N-(1,2-benzoxazol-5-yl)-1-(3-phenylphenyl)piperidine-4-carboxamide
CID 58653146
1-fluoro-N-(3-methyl-1-azabicyclo[2.2.2]octan-3-yl)piperidine-4-carboxamide
CID 118254851
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine-1-carboxylic acid
CID 67608931

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide (CID 118254774) is N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide is CC1(NC(=O)C2CCN(c3cccc(-c4cncnc4)c3)CC2)CCN2CCC1CC2.
What is the InChIKey of N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide?
The InChIKey is LNESAVZHMXUUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-25(9-14-29-10-7-22(25)8-11-29)28-24(31)19-5-12-30(13-6-19)23-4-2-3-20(15-23)21-16-26-18-27-17-21/h2-4,15-19,22H,5-14H2,1H3,(H,28,31).
What are the key properties of N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide?
N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-(3-pyrimidin-5-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 118254774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).