[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone

C25H32N4O — CID 58335010

IUPAC[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
SMILESNc1cc(CN2CCC(C(=O)N3CCC4(CC3)Cc3ccccc3C4)CC2)ccn1
InChIInChI=1S/C25H32N4O/c26-23-15-19(5-10-27-23)18-28-11-6-20(7-12-28)24(30)29-13-8-25(9-14-29)16-21-3-1-2-4-22(21)17-25/h1-5,10,15,20H,6-9,11-14,16-18H2,(H2,26,27)
InChIKeyJXKQSLXEMMBEQZ-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.28
Rot. Bonds3

About [1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone

[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone (PubChem CID 58335010) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is [1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
PubChem CID58335010
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
SMILESNc1cc(CN2CCC(C(=O)N3CCC4(CC3)Cc3ccccc3C4)CC2)ccn1
InChIInChI=1S/C25H32N4O/c26-23-15-19(5-10-27-23)18-28-11-6-20(7-12-28)24(30)29-13-8-25(9-14-29)16-21-3-1-2-4-22(21)17-25/h1-5,10,15,20H,6-9,11-14,16-18H2,(H2,26,27)
InChIKeyJXKQSLXEMMBEQZ-UHFFFAOYSA-N
XLogP3.28
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)piperidin-1-yl]methanone
CID 44816346
1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-4-(cyclohexylamino)piperidine-4-carboxamide;ethane
CID 143382692
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-ethoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 21306788
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(3-methylpyridine-2-carboximidoyl)piperidin-1-yl]methanone
CID 142137751
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2-methoxy-1-pyridin-2-ylethenyl)piperidin-1-yl]methanone
CID 71068075
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(4-bromophenyl)sulfanylpiperidin-1-yl]methanone
CID 143495423
6-[C-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-N-methoxycarbonimidoyl]-1H-pyridin-2-one
CID 59275109
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-propan-2-yloxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone
CID 59275079
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-C-(4-chlorophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]methanone
CID 21306782
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-propoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 10161945
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[N-methoxy-C-(4-methylphenyl)carbonimidoyl]piperidin-1-yl]methanone
CID 145470599
[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane
CID 145470592

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone (CID 58335010) is [1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone is Nc1cc(CN2CCC(C(=O)N3CCC4(CC3)Cc3ccccc3C4)CC2)ccn1.
What is the InChIKey of [1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
The InChIKey is JXKQSLXEMMBEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c26-23-15-19(5-10-27-23)18-28-11-6-20(7-12-28)24(30)29-13-8-25(9-14-29)16-21-3-1-2-4-22(21)17-25/h1-5,10,15,20H,6-9,11-14,16-18H2,(H2,26,27).
What are the key properties of [1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone has a molecular weight of 404.56 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 58335010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).