N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide

C19H28N2O5 — CID 49402246

IUPACN-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C19H28N2O5/c1-5-8-20-18(22)13-7-6-9-21(12-13)19(23)14-10-15(24-2)17(26-4)16(11-14)25-3/h10-11,13H,5-9,12H2,1-4H3,(H,20,22)
InChIKeyQHPWPTHBLFJCTM-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.09
Rot. Bonds7

About N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide

N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide (PubChem CID 49402246) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
PubChem CID49402246
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C19H28N2O5/c1-5-8-20-18(22)13-7-6-9-21(12-13)19(23)14-10-15(24-2)17(26-4)16(11-14)25-3/h10-11,13H,5-9,12H2,1-4H3,(H,20,22)
InChIKeyQHPWPTHBLFJCTM-UHFFFAOYSA-N
XLogP2.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
CID 49403077
(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94082813
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
N-(2-aminoethyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-3-carboxamide
CID 119480695
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 113003294
ethyl (3R)-1-(3-chloro-4,5-dimethoxybenzoyl)piperidine-3-carboxylate
CID 30880442
(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 94392069
(3R)-N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
CID 98418316
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729225

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide (CID 49402246) is N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide is CCCNC(=O)C1CCCN(C(=O)c2cc(OC)c(OC)c(OC)c2)C1.
What is the InChIKey of N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide?
The InChIKey is QHPWPTHBLFJCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-5-8-20-18(22)13-7-6-9-21(12-13)19(23)14-10-15(24-2)17(26-4)16(11-14)25-3/h10-11,13H,5-9,12H2,1-4H3,(H,20,22).
What are the key properties of N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide?
N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 49402246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).