(3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide

C16H23N3O3 — CID 7123107

IUPAC(3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C16H23N3O3/c1-3-17(4-2)16(20)13-8-7-11-18(12-13)14-9-5-6-10-15(14)19(21)22/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3/t13-/m1/s1
InChIKeyUDVDKLWQHCSBQO-CYBMUJFWSA-N
MW305.38 g/mol
LogP2.68
Rot. Bonds5

About (3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide

(3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide (PubChem CID 7123107) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide
PubChem CID7123107
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C16H23N3O3/c1-3-17(4-2)16(20)13-8-7-11-18(12-13)14-9-5-6-10-15(14)19(21)22/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3/t13-/m1/s1
InChIKeyUDVDKLWQHCSBQO-CYBMUJFWSA-N
XLogP2.68
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(2,4-dinitrophenyl)-N,N-diethylpiperidine-3-carboxamide
CID 3124720
1-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-2-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide
CID 3332366
(3S)-1-[4-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide
CID 92697390
N-butyl-1-(2-nitrophenyl)piperidine-3-carboxamide
CID 49431649
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
(3R)-N,N-diethyl-1-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 40782800
2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355894
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
1-[2-[(carbamoylhydrazinylidene)methyl]-4-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide
CID 3289715
(3S)-N,N-diethyl-1-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidine-3-carboxamide
CID 27002680
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
N,N-diethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 78777254

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide (CID 7123107) is (3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of (3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is UDVDKLWQHCSBQO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-17(4-2)16(20)13-8-7-11-18(12-13)14-9-5-6-10-15(14)19(21)22/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide?
(3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 7123107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).