1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one

C19H29N5O — CID 135089643

IUPAC1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one
SMILESCN(C)c1ncc2c(n1)C1(CCCN(CCN3CCCC3=O)C1)CC2
InChIInChI=1S/C19H29N5O/c1-22(2)18-20-13-15-6-8-19(17(15)21-18)7-4-9-23(14-19)11-12-24-10-3-5-16(24)25/h13H,3-12,14H2,1-2H3
InChIKeyJRPCMJCNPKSJRC-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.44
Rot. Bonds4

About 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one

1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one (PubChem CID 135089643) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one
PubChem CID135089643
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one
SMILESCN(C)c1ncc2c(n1)C1(CCCN(CCN3CCCC3=O)C1)CC2
InChIInChI=1S/C19H29N5O/c1-22(2)18-20-13-15-6-8-19(17(15)21-18)7-4-9-23(14-19)11-12-24-10-3-5-16(24)25/h13H,3-12,14H2,1-2H3
InChIKeyJRPCMJCNPKSJRC-UHFFFAOYSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one (CID 135089643) is 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one is CN(C)c1ncc2c(n1)C1(CCCN(CCN3CCCC3=O)C1)CC2.
What is the InChIKey of 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one?
The InChIKey is JRPCMJCNPKSJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-22(2)18-20-13-15-6-8-19(17(15)21-18)7-4-9-23(14-19)11-12-24-10-3-5-16(24)25/h13H,3-12,14H2,1-2H3.
What are the key properties of 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one?
1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one has a molecular weight of 343.48 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 135089643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).