3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide

C24H30N2O5 — CID 108555415

IUPAC3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O5/c1-29-20-15-18(16-21(30-2)23(20)31-3)24(28)26-13-11-19(12-14-26)25-22(27)10-9-17-7-5-4-6-8-17/h4-8,15-16,19H,9-14H2,1-3H3,(H,25,27)
InChIKeyGSAQIOVCKYNGSO-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.07
Rot. Bonds8

About 3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide

3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 108555415) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
PubChem CID108555415
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H30N2O5/c1-29-20-15-18(16-21(30-2)23(20)31-3)24(28)26-13-11-19(12-14-26)25-22(27)10-9-17-7-5-4-6-8-17/h4-8,15-16,19H,9-14H2,1-3H3,(H,25,27)
InChIKeyGSAQIOVCKYNGSO-UHFFFAOYSA-N
XLogP3.07
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692332
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692214
3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide
CID 47056405
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556459

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide (CID 108555415) is 3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide is COc1cc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is GSAQIOVCKYNGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-29-20-15-18(16-21(30-2)23(20)31-3)24(28)26-13-11-19(12-14-26)25-22(27)10-9-17-7-5-4-6-8-17/h4-8,15-16,19H,9-14H2,1-3H3,(H,25,27).
What are the key properties of 3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 426.51 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108555415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).