N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide

C16H21N3O2 — CID 91944030

IUPACN-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C=Cc2ccc(C)nc2)C1
InChIInChI=1S/C16H21N3O2/c1-12-5-6-13(10-18-12)7-8-15(20)19-9-3-4-14(11-19)16(21)17-2/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,17,21)
InChIKeyHPPNCBPLZKHQPI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.39
Rot. Bonds3

About N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide

N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide (PubChem CID 91944030) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide
PubChem CID91944030
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C=Cc2ccc(C)nc2)C1
InChIInChI=1S/C16H21N3O2/c1-12-5-6-13(10-18-12)7-8-15(20)19-9-3-4-14(11-19)16(21)17-2/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,17,21)
InChIKeyHPPNCBPLZKHQPI-UHFFFAOYSA-N
XLogP1.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpiperidine-3-carboxamide
CID 103195240
N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide
CID 75417785
1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55812973
(Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 129407336
(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94131947
3-(4-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 126784591
1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 74313258
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 24705129
(3S)-1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 78925353
methyl 1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidine-3-carboxylate
CID 78919115
methyl (3S)-1-[(E)-3-(3-methylphenyl)prop-2-enoyl]piperidine-3-carboxylate
CID 78919453
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide (CID 91944030) is N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)C=Cc2ccc(C)nc2)C1.
What is the InChIKey of N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide?
The InChIKey is HPPNCBPLZKHQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-5-6-13(10-18-12)7-8-15(20)19-9-3-4-14(11-19)16(21)17-2/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,17,21).
What are the key properties of N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide?
N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(6-methyl-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide is sourced from PubChem (CID 91944030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).