1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide

C14H16ClIN2O2 — CID 103734766

IUPAC1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1
InChIInChI=1S/C14H16ClIN2O2/c1-17-13(19)9-4-6-18(7-5-9)14(20)10-2-3-12(16)11(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,17,19)
InChIKeyUJMOWMSRFNASGS-UHFFFAOYSA-N
MW406.65 g/mol
LogP2.54
Rot. Bonds2

About 1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide

1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 103734766) has the molecular formula C14H16ClIN2O2 and a molecular weight of 406.65 g/mol. Its IUPAC name is 1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide
PubChem CID103734766
Molecular FormulaC14H16ClIN2O2
Molecular Weight406.65 g/mol
Exact Mass405.99
IUPAC Name1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1
InChIInChI=1S/C14H16ClIN2O2/c1-17-13(19)9-4-6-18(7-5-9)14(20)10-2-3-12(16)11(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,17,19)
InChIKeyUJMOWMSRFNASGS-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.65
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-4-iodophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 103805114
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
(3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103734767
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
[4-(1-chloroethyl)piperidin-1-yl]-(3-chloro-4-iodophenyl)methanone
CID 106838833
1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91784718
3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 61440069
(3-chloro-4-iodophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 103807433
(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
CID 103804969
3-chloro-4-[4-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 81151366
(3-chloro-4-iodophenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533788
[4-(2-aminoethyl)piperidin-1-yl]-(3-chloro-4-iodophenyl)methanone
CID 103209483

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide (CID 103734766) is 1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2ccc(I)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is UJMOWMSRFNASGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClIN2O2/c1-17-13(19)9-4-6-18(7-5-9)14(20)10-2-3-12(16)11(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,17,19).
What are the key properties of 1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide?
1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 406.65 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 103734766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).