4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one

C23H33N3O2 — CID 119623843

IUPAC4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one
SMILESCCCc1ccc(N2CC(C(=O)N3CCC(NCC4CC4)CC3)CC2=O)cc1
InChIInChI=1S/C23H33N3O2/c1-2-3-17-6-8-21(9-7-17)26-16-19(14-22(26)27)23(28)25-12-10-20(11-13-25)24-15-18-4-5-18/h6-9,18-20,24H,2-5,10-16H2,1H3
InChIKeySZEWQJVSNFITDQ-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.98
Rot. Bonds7

About 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one

4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one (PubChem CID 119623843) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one
PubChem CID119623843
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one
SMILESCCCc1ccc(N2CC(C(=O)N3CCC(NCC4CC4)CC3)CC2=O)cc1
InChIInChI=1S/C23H33N3O2/c1-2-3-17-6-8-21(9-7-17)26-16-19(14-22(26)27)23(28)25-12-10-20(11-13-25)24-15-18-4-5-18/h6-9,18-20,24H,2-5,10-16H2,1H3
InChIKeySZEWQJVSNFITDQ-UHFFFAOYSA-N
XLogP2.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119540758
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
1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119544467
N-[1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 46464404
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 119622256
4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one
CID 119416770
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 119623785
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 119623296
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119625408
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one (CID 119623843) is 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one is CCCc1ccc(N2CC(C(=O)N3CCC(NCC4CC4)CC3)CC2=O)cc1.
What is the InChIKey of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one?
The InChIKey is SZEWQJVSNFITDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-2-3-17-6-8-21(9-7-17)26-16-19(14-22(26)27)23(28)25-12-10-20(11-13-25)24-15-18-4-5-18/h6-9,18-20,24H,2-5,10-16H2,1H3.
What are the key properties of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one?
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one has a molecular weight of 383.54 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 119623843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).