N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide

C18H24FN3O2 — CID 95598616

IUPACN-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
SMILESO=C1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CCN1
InChIInChI=1S/C18H24FN3O2/c19-15-7-5-14(6-8-15)17(13-3-1-2-4-13)21-18(24)22-11-9-16(23)20-10-12-22/h5-8,13,17H,1-4,9-12H2,(H,20,23)(H,21,24)/t17-/m1/s1
InChIKeySHWBODPGQPJRMF-QGZVFWFLSA-N
MW333.41 g/mol
LogP2.59
Rot. Bonds3

About N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide

N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide (PubChem CID 95598616) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
PubChem CID95598616
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
SMILESO=C1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CCN1
InChIInChI=1S/C18H24FN3O2/c19-15-7-5-14(6-8-15)17(13-3-1-2-4-13)21-18(24)22-11-9-16(23)20-10-12-22/h5-8,13,17H,1-4,9-12H2,(H,20,23)(H,21,24)/t17-/m1/s1
InChIKeySHWBODPGQPJRMF-QGZVFWFLSA-N
XLogP2.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438681
1-[[cyclobutyl-(4-fluorophenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000877
N-[(S)-cyclobutyl-(4-fluorophenyl)methyl]-4-ethoxypiperidine-1-carboxamide
CID 95573108
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 131907551
5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 60968905
(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95977904
N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 78892089
5-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,4-diazepane-1-carboxamide
CID 95977879
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95762713
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 60547934
4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
CID 60547818

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide (CID 95598616) is N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide is O=C1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CCN1.
What is the InChIKey of N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is SHWBODPGQPJRMF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-15-7-5-14(6-8-15)17(13-3-1-2-4-13)21-18(24)22-11-9-16(23)20-10-12-22/h5-8,13,17H,1-4,9-12H2,(H,20,23)(H,21,24)/t17-/m1/s1.
What are the key properties of N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide?
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 95598616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).