N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

C18H28N2O4 — CID 120602634

IUPACN-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC2CCNC(C)C2)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-12-9-14(7-8-19-12)20-17(21)6-5-13-10-15(22-2)18(24-4)16(11-13)23-3/h10-12,14,19H,5-9H2,1-4H3,(H,20,21)
InChIKeyGICCOGDETTXVRF-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.90
Rot. Bonds7

About N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 120602634) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID120602634
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC2CCNC(C)C2)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-12-9-14(7-8-19-12)20-17(21)6-5-13-10-15(22-2)18(24-4)16(11-13)23-3/h10-12,14,19H,5-9H2,1-4H3,(H,20,21)
InChIKeyGICCOGDETTXVRF-UHFFFAOYSA-N
XLogP1.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 119456262
N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 120599219
3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601809
N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119425485
N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide
CID 120601265
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598164
3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120598207
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120600380
4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120601904
(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618500

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 120602634) is N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NC2CCNC(C)C2)cc(OC)c1OC.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is GICCOGDETTXVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12-9-14(7-8-19-12)20-17(21)6-5-13-10-15(22-2)18(24-4)16(11-13)23-3/h10-12,14,19H,5-9H2,1-4H3,(H,20,21).
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 336.43 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 120602634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).