1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

C19H25ClN2O2 — CID 123730010

IUPAC1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2C[C@@H](C)[C@H](c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C19H25ClN2O2/c1-3-18(23)21-9-8-15(11-21)19(24)22-10-13(2)17(12-22)14-4-6-16(20)7-5-14/h4-7,13,15,17H,3,8-12H2,1-2H3/t13-,15?,17-/m1/s1
InChIKeyRGPZTNMPOVALIN-GWHNWCKOSA-N
MW348.87 g/mol
LogP3.16
Rot. Bonds3

About 1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 123730010) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
PubChem CID123730010
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2C[C@@H](C)[C@H](c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C19H25ClN2O2/c1-3-18(23)21-9-8-15(11-21)19(24)22-10-13(2)17(12-22)14-4-6-16(20)7-5-14/h4-7,13,15,17H,3,8-12H2,1-2H3/t13-,15?,17-/m1/s1
InChIKeyRGPZTNMPOVALIN-GWHNWCKOSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 123667986
1-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 165172200
1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55980544
4-(4-chlorophenyl)-3,3-dimethyl-1-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 126800387
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55813432
1-[3-(4-chlorophenyl)imidazolidin-1-yl]propan-1-one
CID 102279125
[(3S,4R)-4-(4-chlorophenyl)-1-[1-(3-methyloxetane-3-carbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-ethylcarbamic acid
CID 123848281
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
[(3R,4S)-4-(4-chlorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-ethylcarbamic acid
CID 123135934
1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 136516670
1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one
CID 165441048
1-[4-[3-(4-chlorophenyl)azepane-1-carbonyl]piperidin-1-yl]ethanone
CID 121146440

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (CID 123730010) is 1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(C(=O)N2C[C@@H](C)[C@H](c3ccc(Cl)cc3)C2)C1.
What is the InChIKey of 1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is RGPZTNMPOVALIN-GWHNWCKOSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-3-18(23)21-9-8-15(11-21)19(24)22-10-13(2)17(12-22)14-4-6-16(20)7-5-14/h4-7,13,15,17H,3,8-12H2,1-2H3/t13-,15?,17-/m1/s1.
What are the key properties of 1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 348.87 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 123730010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).