1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide

C14H16ClN3O5 — CID 156695356

IUPAC1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(N)=O)CC2)cc([N+](=O)[O-])c1Cl
InChIInChI=1S/C14H16ClN3O5/c1-23-11-7-9(6-10(12(11)15)18(21)22)14(20)17-4-2-8(3-5-17)13(16)19/h6-8H,2-5H2,1H3,(H2,16,19)
InChIKeyIJRQRTFGZRVFGT-UHFFFAOYSA-N
MW341.75 g/mol
LogP1.59
Rot. Bonds4

About 1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide

1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide (PubChem CID 156695356) has the molecular formula C14H16ClN3O5 and a molecular weight of 341.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide
PubChem CID156695356
Molecular FormulaC14H16ClN3O5
Molecular Weight341.75 g/mol
Exact Mass341.08
IUPAC Name1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(N)=O)CC2)cc([N+](=O)[O-])c1Cl
InChIInChI=1S/C14H16ClN3O5/c1-23-11-7-9(6-10(12(11)15)18(21)22)14(20)17-4-2-8(3-5-17)13(16)19/h6-8H,2-5H2,1H3,(H2,16,19)
InChIKeyIJRQRTFGZRVFGT-UHFFFAOYSA-N
XLogP1.59
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 51.59
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

1-(3,4-dimethoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119349917
1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 32978677
azepan-1-yl-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]methanone
CID 31611457
(3,4-dichloro-5-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61053029
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 104784729
(4-aminopiperidin-1-yl)-(3-methoxy-4-nitrophenyl)methanone;hydrochloride
CID 119374691
1-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 4845441
(3-aminopyrrolidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone;hydrochloride
CID 119482996
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 110763028
[3-methoxy-4-(methylamino)-5-nitrophenyl]-piperidin-1-ylmethanone
CID 154359204
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
CID 119059320

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide (CID 156695356) is 1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide is COc1cc(C(=O)N2CCC(C(N)=O)CC2)cc([N+](=O)[O-])c1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide?
The InChIKey is IJRQRTFGZRVFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O5/c1-23-11-7-9(6-10(12(11)15)18(21)22)14(20)17-4-2-8(3-5-17)13(16)19/h6-8H,2-5H2,1H3,(H2,16,19).
What are the key properties of 1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide?
1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide has a molecular weight of 341.75 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 156695356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).