4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one

C19H25N3O3 — CID 56807347

IUPAC4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
SMILESCC(=O)N1CCCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H25N3O3/c1-15(23)20-8-5-9-21(11-10-20)19(25)17-12-18(24)22(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyZZMPHITXWRZUQV-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.12
Rot. Bonds3

About 4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one

4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one (PubChem CID 56807347) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
PubChem CID56807347
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
SMILESCC(=O)N1CCCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H25N3O3/c1-15(23)20-8-5-9-21(11-10-20)19(25)17-12-18(24)22(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyZZMPHITXWRZUQV-UHFFFAOYSA-N
XLogP1.12
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543326
1-benzyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 78858914
1-benzyl-4-[4-(2-sulfanylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546297
1-benzyl-4-[4-(3,4-dimethylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546319
1-benzyl-4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546308
tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
1-benzyl-4-[4-(3-phenoxypropanoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546298
1-benzyl-4-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108545946
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
1-benzyl-4-[4-(3,4-dimethoxybenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108935012

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one?
The IUPAC name of 4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one (CID 56807347) is 4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one?
The canonical SMILES for 4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one is CC(=O)N1CCCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of 4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one?
The InChIKey is ZZMPHITXWRZUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-15(23)20-8-5-9-21(11-10-20)19(25)17-12-18(24)22(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3.
What are the key properties of 4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one?
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one is sourced from PubChem (CID 56807347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).