N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide

C14H18IN3O2 — CID 60698551

IUPACN-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C14H18IN3O2/c1-2-16-14(20)18-9-7-17(8-10-18)13(19)11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3,(H,16,20)
InChIKeyPDLPDYWPHKQIKG-UHFFFAOYSA-N
MW387.22 g/mol
LogP1.78
Rot. Bonds2

About N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide

N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide (PubChem CID 60698551) has the molecular formula C14H18IN3O2 and a molecular weight of 387.22 g/mol. Its IUPAC name is N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide
PubChem CID60698551
Molecular FormulaC14H18IN3O2
Molecular Weight387.22 g/mol
Exact Mass387.04
IUPAC NameN-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C14H18IN3O2/c1-2-16-14(20)18-9-7-17(8-10-18)13(19)11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3,(H,16,20)
InChIKeyPDLPDYWPHKQIKG-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 51.78
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

4-(3-chloro-4-iodobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103734756
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103907498
N-ethyl-4-(2-iodobenzoyl)piperazine-1-carboxamide
CID 47126280
4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide
CID 115769535
N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 60716823
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone
CID 55137830
4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812235
4-(4-iodobenzoyl)piperazine-1-carbaldehyde
CID 875264

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide (CID 60698551) is N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide?
The InChIKey is PDLPDYWPHKQIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3O2/c1-2-16-14(20)18-9-7-17(8-10-18)13(19)11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3,(H,16,20).
What are the key properties of N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide?
N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide has a molecular weight of 387.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 60698551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).