4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one

C19H27N3O2 — CID 119416770

IUPAC4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one
SMILESCCCc1ccc(N2CC(C(=O)N3CCCNCC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-2-4-15-5-7-17(8-6-15)22-14-16(13-18(22)23)19(24)21-11-3-9-20-10-12-21/h5-8,16,20H,2-4,9-14H2,1H3
InChIKeyFCDPITDRGZOSMY-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.81
Rot. Bonds4

About 4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one

4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one (PubChem CID 119416770) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one
PubChem CID119416770
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one
SMILESCCCc1ccc(N2CC(C(=O)N3CCCNCC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-2-4-15-5-7-17(8-6-15)22-14-16(13-18(22)23)19(24)21-11-3-9-20-10-12-21/h5-8,16,20H,2-4,9-14H2,1H3
InChIKeyFCDPITDRGZOSMY-UHFFFAOYSA-N
XLogP1.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119402263
4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119397198
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 119623843
1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55578705
1-(4-ethylphenyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120995208
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119540758
1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55580326
1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 174964651
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one (CID 119416770) is 4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one is CCCc1ccc(N2CC(C(=O)N3CCCNCC3)CC2=O)cc1.
What is the InChIKey of 4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one?
The InChIKey is FCDPITDRGZOSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-4-15-5-7-17(8-6-15)22-14-16(13-18(22)23)19(24)21-11-3-9-20-10-12-21/h5-8,16,20H,2-4,9-14H2,1H3.
What are the key properties of 4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one?
4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 119416770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).