[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone

C25H32N6O2 — CID 123886369

IUPAC[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone
SMILESCONC1=CC2(CCN(C(=O)C3CCN(Cc4cnc(N)nc4)CC3)CC2)c2ccccc21
InChIInChI=1S/C25H32N6O2/c1-33-29-22-14-25(21-5-3-2-4-20(21)22)8-12-31(13-9-25)23(32)19-6-10-30(11-7-19)17-18-15-27-24(26)28-16-18/h2-5,14-16,19,29H,6-13,17H2,1H3,(H2,26,27,28)
InChIKeyPXWYJBTXDRXKIF-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.34
Rot. Bonds5

About [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone

[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone (PubChem CID 123886369) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone
PubChem CID123886369
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone
SMILESCONC1=CC2(CCN(C(=O)C3CCN(Cc4cnc(N)nc4)CC3)CC2)c2ccccc21
InChIInChI=1S/C25H32N6O2/c1-33-29-22-14-25(21-5-3-2-4-20(21)22)8-12-31(13-9-25)23(32)19-6-10-30(11-7-19)17-18-15-27-24(26)28-16-18/h2-5,14-16,19,29H,6-13,17H2,1H3,(H2,26,27,28)
InChIKeyPXWYJBTXDRXKIF-UHFFFAOYSA-N
XLogP2.34
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone 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

[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-hydroxy-4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 21306829
[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 70780530
6-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidine-4-carboximidoyl]-1H-pyridin-2-one
CID 89080147
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-(quinoxaline-2-carboximidoyl)piperidin-1-yl]methanone
CID 89080320
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 58335010
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050175
1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-4-(cyclohexylamino)piperidine-4-carboxamide;ethane
CID 143382692
(4,4-difluoropiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 155975853
N-[[1-[1-[1-[(2-aminopyrimidin-5-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1-(4-chlorophenyl)propyl]carbamoyl]acetamide
CID 143382780
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)piperidin-1-yl]methanone
CID 44816346
N-[4-[4-[[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
CID 67037740
methyl 4-phenyl-1-(1-prop-2-ynylpiperidine-4-carbonyl)piperidine-4-carboxylate
CID 86839651

Frequently Asked Questions

What is the IUPAC name of [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone?
The IUPAC name of [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone (CID 123886369) is [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone is CONC1=CC2(CCN(C(=O)C3CCN(Cc4cnc(N)nc4)CC3)CC2)c2ccccc21.
What is the InChIKey of [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone?
The InChIKey is PXWYJBTXDRXKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-33-29-22-14-25(21-5-3-2-4-20(21)22)8-12-31(13-9-25)23(32)19-6-10-30(11-7-19)17-18-15-27-24(26)28-16-18/h2-5,14-16,19,29H,6-13,17H2,1H3,(H2,26,27,28).
What are the key properties of [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone?
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone has a molecular weight of 448.57 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 123886369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).