(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one

C19H32N2O2 — CID 94878414

IUPAC(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one
SMILESCCC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C19H32N2O2/c1-2-6-15-7-5-11-20(12-10-15)19(23)16-13-18(22)21(14-16)17-8-3-4-9-17/h15-17H,2-14H2,1H3/t15-,16-/m1/s1
InChIKeyXQVONRFISBGWIX-HZPDHXFCSA-N
MW320.48 g/mol
LogP3.21
Rot. Bonds4

About (4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one

(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one (PubChem CID 94878414) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one
PubChem CID94878414
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one
SMILESCCC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C19H32N2O2/c1-2-6-15-7-5-11-20(12-10-15)19(23)16-13-18(22)21(14-16)17-8-3-4-9-17/h15-17H,2-14H2,1H3/t15-,16-/m1/s1
InChIKeyXQVONRFISBGWIX-HZPDHXFCSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[(4R)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 94878389
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
1-cyclopropyl-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 43422106
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
ethyl (3S)-1-[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018624
ethyl (3S)-1-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9364684
ethyl (3R)-1-[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018625
4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one
CID 49007468
1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 42937923

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one (CID 94878414) is (4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one is CCC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1.
What is the InChIKey of (4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XQVONRFISBGWIX-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-2-6-15-7-5-11-20(12-10-15)19(23)16-13-18(22)21(14-16)17-8-3-4-9-17/h15-17H,2-14H2,1H3/t15-,16-/m1/s1.
What are the key properties of (4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one?
(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one has a molecular weight of 320.48 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94878414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).