N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide

C17H21FN4O3 — CID 118762258

IUPACN-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide
SMILESO=C1CCC(C(=O)NC2CCN(c3ccc(F)cc3)CC2)NC(=O)N1
InChIInChI=1S/C17H21FN4O3/c18-11-1-3-13(4-2-11)22-9-7-12(8-10-22)19-16(24)14-5-6-15(23)21-17(25)20-14/h1-4,12,14H,5-10H2,(H,19,24)(H2,20,21,23,25)
InChIKeyGUSHQFMQXYZHHZ-UHFFFAOYSA-N
MW348.38 g/mol
LogP0.90
Rot. Bonds3

About N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide

N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide (PubChem CID 118762258) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide
PubChem CID118762258
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC NameN-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide
SMILESO=C1CCC(C(=O)NC2CCN(c3ccc(F)cc3)CC2)NC(=O)N1
InChIInChI=1S/C17H21FN4O3/c18-11-1-3-13(4-2-11)22-9-7-12(8-10-22)19-16(24)14-5-6-15(23)21-17(25)20-14/h1-4,12,14H,5-10H2,(H,19,24)(H2,20,21,23,25)
InChIKeyGUSHQFMQXYZHHZ-UHFFFAOYSA-N
XLogP0.90
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide
CID 125155070
5-chloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 118786672
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-cyclobutyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086727
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086700
(2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide
CID 125166950
(2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
CID 127296472
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
6-fluoro-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70764704
N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide
CID 118767116

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide (CID 118762258) is N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide is O=C1CCC(C(=O)NC2CCN(c3ccc(F)cc3)CC2)NC(=O)N1.
What is the InChIKey of N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide?
The InChIKey is GUSHQFMQXYZHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c18-11-1-3-13(4-2-11)22-9-7-12(8-10-22)19-16(24)14-5-6-15(23)21-17(25)20-14/h1-4,12,14H,5-10H2,(H,19,24)(H2,20,21,23,25).
What are the key properties of N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide?
N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide is sourced from PubChem (CID 118762258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).