N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide

C20H29N3O2 — CID 166414177

IUPACN-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N(C)C2CCN(CC)CC2C)cc1
InChIInChI=1S/C20H29N3O2/c1-6-19(24)21(4)17-10-8-16(9-11-17)20(25)22(5)18-12-13-23(7-2)14-15(18)3/h6,8-11,15,18H,1,7,12-14H2,2-5H3
InChIKeyARBUEDRRQFBQSJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.64
Rot. Bonds5

About N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide

N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide (PubChem CID 166414177) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide
PubChem CID166414177
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)N(C)C2CCN(CC)CC2C)cc1
InChIInChI=1S/C20H29N3O2/c1-6-19(24)21(4)17-10-8-16(9-11-17)20(25)22(5)18-12-13-23(7-2)14-15(18)3/h6,8-11,15,18H,1,7,12-14H2,2-5H3
InChIKeyARBUEDRRQFBQSJ-UHFFFAOYSA-N
XLogP2.64
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166198840
1-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-1-methyl-3-(pyridin-4-ylmethyl)urea
CID 97028725
1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea
CID 96542994
(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124683430
5-tert-butyl-N-[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 129358148
N-methyl-N-[4-[(2R)-2-methyl-4-(oxan-4-yl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166413432
N-[(1-ethylpyrrol-2-yl)methyl]-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413874
N,N-diethyl-4-(3-hydroxy-N-[(3R,4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide
CID 101103653
N-[4-[(3aR,6aS)-2-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-N-methylprop-2-enamide
CID 167884693
4-(N-[(3S,4R)-1-[(E)-but-2-enyl]-3-methylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
CID 71450906
N-[4-(4-ethyl-2,2-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]-N-methylprop-2-enamide
CID 166413553
N,N-diethyl-4-(3-methoxy-N-[(3R,4R)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide
CID 10717752

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide?
The IUPAC name of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide (CID 166414177) is N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide.
What is the SMILES notation for N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide?
The canonical SMILES for N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide is C=CC(=O)N(C)c1ccc(C(=O)N(C)C2CCN(CC)CC2C)cc1.
What is the InChIKey of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide?
The InChIKey is ARBUEDRRQFBQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-6-19(24)21(4)17-10-8-16(9-11-17)20(25)22(5)18-12-13-23(7-2)14-15(18)3/h6,8-11,15,18H,1,7,12-14H2,2-5H3.
What are the key properties of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide?
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide has a molecular weight of 343.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide is sourced from PubChem (CID 166414177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).