N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide

C20H25N3O — CID 97203512

IUPACN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cnccc1CN(C)C(=O)c1ccc([C@H]2CCCNC2)cc1
InChIInChI=1S/C20H25N3O/c1-15-12-22-11-9-19(15)14-23(2)20(24)17-7-5-16(6-8-17)18-4-3-10-21-13-18/h5-9,11-12,18,21H,3-4,10,13-14H2,1-2H3/t18-/m0/s1
InChIKeyIUNJBBDYYXZUPR-SFHVURJKSA-N
MW323.44 g/mol
LogP3.13
Rot. Bonds4

About N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide

N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide (PubChem CID 97203512) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide
PubChem CID97203512
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cnccc1CN(C)C(=O)c1ccc([C@H]2CCCNC2)cc1
InChIInChI=1S/C20H25N3O/c1-15-12-22-11-9-19(15)14-23(2)20(24)17-7-5-16(6-8-17)18-4-3-10-21-13-18/h5-9,11-12,18,21H,3-4,10,13-14H2,1-2H3/t18-/m0/s1
InChIKeyIUNJBBDYYXZUPR-SFHVURJKSA-N
XLogP3.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 97200779
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 114698820
4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 119070117
1-(4-hydroxypiperidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 167938292
4-piperidin-3-yl-N-(2-pyrazin-2-ylethyl)benzamide
CID 72860445
4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
CID 97191641
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide (CID 97203512) is N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide is Cc1cnccc1CN(C)C(=O)c1ccc([C@H]2CCCNC2)cc1.
What is the InChIKey of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is IUNJBBDYYXZUPR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-12-22-11-9-19(15)14-23(2)20(24)17-7-5-16(6-8-17)18-4-3-10-21-13-18/h5-9,11-12,18,21H,3-4,10,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide?
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 323.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97203512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).