N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide

C19H22N4O2 — CID 129401003

IUPACN'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide
SMILESCN(C(=O)C(=O)Nc1cccnc1)[C@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H22N4O2/c1-22(19(25)18(24)21-15-7-5-11-20-13-15)17-10-6-12-23(14-17)16-8-3-2-4-9-16/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyLBPXIIVRJCZESM-KRWDZBQOSA-N
MW338.41 g/mol
LogP2.15
Rot. Bonds3

About N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide

N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide (PubChem CID 129401003) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide.

Molecular Properties

Compound NameN'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide
PubChem CID129401003
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide
SMILESCN(C(=O)C(=O)Nc1cccnc1)[C@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H22N4O2/c1-22(19(25)18(24)21-15-7-5-11-20-13-15)17-10-6-12-23(14-17)16-8-3-2-4-9-16/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyLBPXIIVRJCZESM-KRWDZBQOSA-N
XLogP2.15
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[(3R)-1-phenylpiperidin-3-yl]-3-pyrimidin-4-ylurea
CID 124626898
4-(3-methylpiperidin-1-yl)-N-pyridin-3-ylbenzamide
CID 142678923
3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
CID 136526166
N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide
CID 170551154
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
2-amino-N-methyl-N-(1-phenylpiperidin-3-yl)benzamide
CID 119947279
4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889710
N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 97061605
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 119889662
N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 119889712
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028
N'-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-N'-(1-pyridazin-3-ylpiperidin-3-yl)oxamide
CID 119044040

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide?
The IUPAC name of N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide (CID 129401003) is N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide.
What is the SMILES notation for N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide?
The canonical SMILES for N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide is CN(C(=O)C(=O)Nc1cccnc1)[C@H]1CCCN(c2ccccc2)C1.
What is the InChIKey of N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide?
The InChIKey is LBPXIIVRJCZESM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(19(25)18(24)21-15-7-5-11-20-13-15)17-10-6-12-23(14-17)16-8-3-2-4-9-16/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide?
N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide has a molecular weight of 338.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(3S)-1-phenylpiperidin-3-yl]-N-pyridin-3-yloxamide is sourced from PubChem (CID 129401003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).