2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C24H31N5O2 — CID 155508228

IUPAC2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESNc1nc2c(c(=O)[nH]1)CCC21CCN(C(=O)C2CCCCN2Cc2ccccc2)CC1
InChIInChI=1S/C24H31N5O2/c25-23-26-20-18(21(30)27-23)9-10-24(20)11-14-28(15-12-24)22(31)19-8-4-5-13-29(19)16-17-6-2-1-3-7-17/h1-3,6-7,19H,4-5,8-16H2,(H3,25,26,27,30)
InChIKeyKBDMRHPGDKEJAC-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.21
Rot. Bonds3

About 2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155508228) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155508228
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESNc1nc2c(c(=O)[nH]1)CCC21CCN(C(=O)C2CCCCN2Cc2ccccc2)CC1
InChIInChI=1S/C24H31N5O2/c25-23-26-20-18(21(30)27-23)9-10-24(20)11-14-28(15-12-24)22(31)19-8-4-5-13-29(19)16-17-6-2-1-3-7-17/h1-3,6-7,19H,4-5,8-16H2,(H3,25,26,27,30)
InChIKeyKBDMRHPGDKEJAC-UHFFFAOYSA-N
XLogP2.21
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155508228) is 2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is Nc1nc2c(c(=O)[nH]1)CCC21CCN(C(=O)C2CCCCN2Cc2ccccc2)CC1.
What is the InChIKey of 2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is KBDMRHPGDKEJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c25-23-26-20-18(21(30)27-23)9-10-24(20)11-14-28(15-12-24)22(31)19-8-4-5-13-29(19)16-17-6-2-1-3-7-17/h1-3,6-7,19H,4-5,8-16H2,(H3,25,26,27,30).
What are the key properties of 2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 421.55 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1'-(1-benzylpiperidine-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155508228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).