1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide

C29H29N3O5 — CID 17482899

IUPAC1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
SMILESO=C(NC(CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N3O5/c33-27(18-24(20-7-3-1-4-8-20)31-29(35)21-9-5-2-6-10-21)32-15-13-22(14-16-32)28(34)30-23-11-12-25-26(17-23)37-19-36-25/h1-12,17,22,24H,13-16,18-19H2,(H,30,34)(H,31,35)
InChIKeyZJPYCEYQDOMOOG-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.15
Rot. Bonds7

About 1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide

1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide (PubChem CID 17482899) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is 1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
PubChem CID17482899
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Name1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
SMILESO=C(NC(CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N3O5/c33-27(18-24(20-7-3-1-4-8-20)31-29(35)21-9-5-2-6-10-21)32-15-13-22(14-16-32)28(34)30-23-11-12-25-26(17-23)37-19-36-25/h1-12,17,22,24H,13-16,18-19H2,(H,30,34)(H,31,35)
InChIKeyZJPYCEYQDOMOOG-UHFFFAOYSA-N
XLogP4.15
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 8995848
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
N-(1,3-benzodioxol-5-yl)-1-[2-(2-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 17466076
N-(1,3-benzodioxol-5-yl)-1-[2-(2,3,4,5,6-pentafluorophenyl)acetyl]piperidine-4-carboxamide
CID 16575048
N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55573209
4-N-(1,3-benzodioxol-5-yl)-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 166188583
N-(1,3-benzodioxol-5-yl)-1-[2-(2,6-dichlorophenoxy)acetyl]piperidine-4-carboxamide
CID 17474650
N-(1,3-benzodioxol-5-yl)-1-(3-thiophen-2-ylpropanoyl)piperidine-4-carboxamide
CID 41411099
N-(1,3-benzodioxol-5-yl)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]piperidine-4-carboxamide
CID 17490066
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119410927
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide (CID 17482899) is 1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide is O=C(NC(CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide?
The InChIKey is ZJPYCEYQDOMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c33-27(18-24(20-7-3-1-4-8-20)31-29(35)21-9-5-2-6-10-21)32-15-13-22(14-16-32)28(34)30-23-11-12-25-26(17-23)37-19-36-25/h1-12,17,22,24H,13-16,18-19H2,(H,30,34)(H,31,35).
What are the key properties of 1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide?
1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17482899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).