N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide

C16H23N3O3 — CID 3125667

IUPACN,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C16H23N3O3/c1-3-17(4-2)16(20)13-6-5-11-18(12-13)14-7-9-15(10-8-14)19(21)22/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeySAPCUOAGJIIDAQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.68
Rot. Bonds5

About N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide

N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide (PubChem CID 3125667) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide
PubChem CID3125667
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C16H23N3O3/c1-3-17(4-2)16(20)13-6-5-11-18(12-13)14-7-9-15(10-8-14)19(21)22/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeySAPCUOAGJIIDAQ-UHFFFAOYSA-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide (CID 3125667) is N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is SAPCUOAGJIIDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-17(4-2)16(20)13-6-5-11-18(12-13)14-7-9-15(10-8-14)19(21)22/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide?
N,N-diethyl-1-(4-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 N,N-diethyl-1-(4-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3125667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).