N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide

C24H31N3O2 — CID 133131068

IUPACN-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide
SMILESCCCCC(=O)N[C@H]1c2ccccc2C2(CCNCC2)[C@@H]1OCc1cccnc1
InChIInChI=1S/C24H31N3O2/c1-2-3-10-21(28)27-22-19-8-4-5-9-20(19)24(11-14-25-15-12-24)23(22)29-17-18-7-6-13-26-16-18/h4-9,13,16,22-23,25H,2-3,10-12,14-15,17H2,1H3,(H,27,28)/t22-,23+/m0/s1
InChIKeyVNUBCRNJVPWDPF-XZOQPEGZSA-N
MW393.53 g/mol
LogP3.65
Rot. Bonds7

About N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide

N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide (PubChem CID 133131068) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide
PubChem CID133131068
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide
SMILESCCCCC(=O)N[C@H]1c2ccccc2C2(CCNCC2)[C@@H]1OCc1cccnc1
InChIInChI=1S/C24H31N3O2/c1-2-3-10-21(28)27-22-19-8-4-5-9-20(19)24(11-14-25-15-12-24)23(22)29-17-18-7-6-13-26-16-18/h4-9,13,16,22-23,25H,2-3,10-12,14-15,17H2,1H3,(H,27,28)/t22-,23+/m0/s1
InChIKeyVNUBCRNJVPWDPF-XZOQPEGZSA-N
XLogP3.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide
CID 133118063
N-[(1R,2R)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide
CID 56903301
1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide
CID 133130446
N-[(1R,2R)-2-(pyridin-4-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118759618
3-amino-N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 56898735
N-[(1R,2R)-1'-[(E)-4-methylpent-2-enoyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 26279563
N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide
CID 56914894
N-[(1S,2S)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-methylbutanamide
CID 133120386
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249
N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
CID 133117847
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride
CID 154894928
2-(2-methoxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133115310

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide?
The IUPAC name of N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide (CID 133131068) is N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide.
What is the SMILES notation for N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide?
The canonical SMILES for N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide is CCCCC(=O)N[C@H]1c2ccccc2C2(CCNCC2)[C@@H]1OCc1cccnc1.
What is the InChIKey of N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide?
The InChIKey is VNUBCRNJVPWDPF-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-3-10-21(28)27-22-19-8-4-5-9-20(19)24(11-14-25-15-12-24)23(22)29-17-18-7-6-13-26-16-18/h4-9,13,16,22-23,25H,2-3,10-12,14-15,17H2,1H3,(H,27,28)/t22-,23+/m0/s1.
What are the key properties of N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide?
N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide has a molecular weight of 393.53 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pentanamide is sourced from PubChem (CID 133131068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).