[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone

C18H29N3O2 — CID 143899480

IUPAC[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C([C@H]1CCCN1C(=O)C1CC1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C18H29N3O2/c22-17(14-7-8-14)21-11-2-6-16(21)18(23)20-10-3-9-19(12-13-20)15-4-1-5-15/h14-16H,1-13H2/t16-/m1/s1
InChIKeyVTORKHITRMEPMX-MRXNPFEDSA-N
MW319.45 g/mol
LogP1.47
Rot. Bonds3

About [(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone

[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 143899480) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is [(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID143899480
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C([C@H]1CCCN1C(=O)C1CC1)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C18H29N3O2/c22-17(14-7-8-14)21-11-2-6-16(21)18(23)20-10-3-9-19(12-13-20)15-4-1-5-15/h14-16H,1-13H2/t16-/m1/s1
InChIKeyVTORKHITRMEPMX-MRXNPFEDSA-N
XLogP1.47
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 143899507
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
1-[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone;1H-pyridin-4-one
CID 143899398
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
4-chloro-3-methylphenol;1-[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 143899498
cyclopropyl-[2-(4-propan-2-ylazepane-1-carbonyl)pyrrolidin-1-yl]methanone
CID 71875909
cyclopropyl-[2-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55177817
1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 43355899
(3R)-1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81126746
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl(cyclopropyl)methanone
CID 49224332
cyclopropyl-[2-[4-(1-hydroxyethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 106837048
[(4R)-4-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone
CID 124801732

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone (CID 143899480) is [(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone is O=C([C@H]1CCCN1C(=O)C1CC1)N1CCCN(C2CCC2)CC1.
What is the InChIKey of [(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is VTORKHITRMEPMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N3O2/c22-17(14-7-8-14)21-11-2-6-16(21)18(23)20-10-3-9-19(12-13-20)15-4-1-5-15/h14-16H,1-13H2/t16-/m1/s1.
What are the key properties of [(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone?
[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 319.45 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 143899480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).