(3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide

C18H19N3O5 — CID 30804053

IUPAC(3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C18H19N3O5/c1-12-4-5-15(21(24)25)9-16(12)19-17(22)13-3-2-7-20(10-13)18(23)14-6-8-26-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyIYCASLIKKATXCH-CYBMUJFWSA-N
MW357.37 g/mol
LogP2.99
Rot. Bonds4

About (3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide

(3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide (PubChem CID 30804053) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is (3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
PubChem CID30804053
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name(3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C18H19N3O5/c1-12-4-5-15(21(24)25)9-16(12)19-17(22)13-3-2-7-20(10-13)18(23)14-6-8-26-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyIYCASLIKKATXCH-CYBMUJFWSA-N
XLogP2.99
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 99970167
N-(2-bromo-4-methylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948198
N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569045
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074
(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 30806067
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
N-(2-methyl-5-nitrophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118614
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide (CID 30804053) is (3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of (3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is IYCASLIKKATXCH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12-4-5-15(21(24)25)9-16(12)19-17(22)13-3-2-7-20(10-13)18(23)14-6-8-26-11-14/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide?
(3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 30804053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).