1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

C23H37N5 — CID 135111728

IUPAC1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C3CCN(C4CCCC4)CC3)C1)CC2
InChIInChI=1S/C23H37N5/c1-26(2)22-24-16-18-8-12-23(21(18)25-22)11-5-13-28(17-23)20-9-14-27(15-10-20)19-6-3-4-7-19/h16,19-20H,3-15,17H2,1-2H3
InChIKeySLGRDBXWTRYIRA-UHFFFAOYSA-N
MW383.58 g/mol
LogP3.23
Rot. Bonds3

About 1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (PubChem CID 135111728) has the molecular formula C23H37N5 and a molecular weight of 383.58 g/mol. Its IUPAC name is 1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.

Molecular Properties

Compound Name1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
PubChem CID135111728
Molecular FormulaC23H37N5
Molecular Weight383.58 g/mol
Exact Mass383.30
IUPAC Name1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C3CCN(C4CCCC4)CC3)C1)CC2
InChIInChI=1S/C23H37N5/c1-26(2)22-24-16-18-8-12-23(21(18)25-22)11-5-13-28(17-23)20-9-14-27(15-10-20)19-6-3-4-7-19/h16,19-20H,3-15,17H2,1-2H3
InChIKeySLGRDBXWTRYIRA-UHFFFAOYSA-N
XLogP3.23
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The IUPAC name of 1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (CID 135111728) is 1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.
What is the SMILES notation for 1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The canonical SMILES for 1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is CN(C)c1ncc2c(n1)C1(CCCN(C3CCN(C4CCCC4)CC3)C1)CC2.
What is the InChIKey of 1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The InChIKey is SLGRDBXWTRYIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5/c1-26(2)22-24-16-18-8-12-23(21(18)25-22)11-5-13-28(17-23)20-9-14-27(15-10-20)19-6-3-4-7-19/h16,19-20H,3-15,17H2,1-2H3.
What are the key properties of 1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine has a molecular weight of 383.58 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-cyclopentylpiperidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is sourced from PubChem (CID 135111728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).