(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide

C21H22N2O5 — CID 42567311

IUPAC(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C21H22N2O5/c1-26-17-7-3-2-6-16(17)20(24)14-5-4-10-23(12-14)21(25)22-15-8-9-18-19(11-15)28-13-27-18/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyKLHZQSCKVSRNHQ-CQSZACIVSA-N
MW382.42 g/mol
LogP3.55
Rot. Bonds4

About (3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide

(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide (PubChem CID 42567311) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is (3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide
PubChem CID42567311
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C21H22N2O5/c1-26-17-7-3-2-6-16(17)20(24)14-5-4-10-23(12-14)21(25)22-15-8-9-18-19(11-15)28-13-27-18/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyKLHZQSCKVSRNHQ-CQSZACIVSA-N
XLogP3.55
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 42394704
3-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 26325134
3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
CID 45228536
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323
(3S)-N-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 42214526
N-(1,3-benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 72837983
(3R)-N-(4-acetylphenyl)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carboxamide
CID 42147863
[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 25380855
N-(1,3-benzodioxol-5-yl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109293
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 646276

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide (CID 42567311) is (3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide is COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OCO3)C1.
What is the InChIKey of (3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide?
The InChIKey is KLHZQSCKVSRNHQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-26-17-7-3-2-6-16(17)20(24)14-5-4-10-23(12-14)21(25)22-15-8-9-18-19(11-15)28-13-27-18/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide?
(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 42567311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).