N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide

C21H34N2O4 — CID 52507353

IUPACN-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC[C@H](C)N2CCC(C)CC2)c(OC)c1OC
InChIInChI=1S/C21H34N2O4/c1-15-10-12-23(13-11-15)16(2)14-22-19(24)9-7-17-6-8-18(25-3)21(27-5)20(17)26-4/h6,8,15-16H,7,9-14H2,1-5H3,(H,22,24)/t16-/m0/s1
InChIKeyXRERZPNKCSAHAZ-INIZCTEOSA-N
MW378.51 g/mol
LogP2.88
Rot. Bonds9

About N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide

N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 52507353) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID52507353
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC NameN-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC[C@H](C)N2CCC(C)CC2)c(OC)c1OC
InChIInChI=1S/C21H34N2O4/c1-15-10-12-23(13-11-15)16(2)14-22-19(24)9-7-17-6-8-18(25-3)21(27-5)20(17)26-4/h6,8,15-16H,7,9-14H2,1-5H3,(H,22,24)/t16-/m0/s1
InChIKeyXRERZPNKCSAHAZ-INIZCTEOSA-N
XLogP2.88
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119997065
2-(2-methoxyphenoxy)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 112502471
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 90619835
4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
CID 110620731
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 120704077
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide
CID 94798908
N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 120599219
7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
CID 119866531
N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119643835

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide (CID 52507353) is N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NC[C@H](C)N2CCC(C)CC2)c(OC)c1OC.
What is the InChIKey of N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is XRERZPNKCSAHAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-15-10-12-23(13-11-15)16(2)14-22-19(24)9-7-17-6-8-18(25-3)21(27-5)20(17)26-4/h6,8,15-16H,7,9-14H2,1-5H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 378.51 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 52507353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).