1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone

C15H27N3O2 — CID 143899528

IUPAC1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1CCCN(C(C)C)CC1
InChIInChI=1S/C15H27N3O2/c1-12(2)16-7-5-8-17(11-10-16)15(20)14-6-4-9-18(14)13(3)19/h12,14H,4-11H2,1-3H3/t14-/m1/s1
InChIKeyIQXGGJNTYWARDB-CQSZACIVSA-N
MW281.40 g/mol
LogP0.94
Rot. Bonds2

About 1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone

1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 143899528) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID143899528
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1CCCN(C(C)C)CC1
InChIInChI=1S/C15H27N3O2/c1-12(2)16-7-5-8-17(11-10-16)15(20)14-6-4-9-18(14)13(3)19/h12,14H,4-11H2,1-3H3/t14-/m1/s1
InChIKeyIQXGGJNTYWARDB-CQSZACIVSA-N
XLogP0.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 53015941
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635
[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 95282111
2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 71207331
1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 124778110
1-[(2S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 143899507
1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
CID 170366358
1-[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone;1H-pyridin-4-one
CID 143899398
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119644088
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 119434406
1-(4-propan-2-ylpiperazine-1-carbonyl)azepane-2-carboxylic acid
CID 64562136

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone (CID 143899528) is 1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1C(=O)N1CCCN(C(C)C)CC1.
What is the InChIKey of 1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is IQXGGJNTYWARDB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)16-7-5-8-17(11-10-16)15(20)14-6-4-9-18(14)13(3)19/h12,14H,4-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone?
1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 281.40 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 143899528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).