3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide

C21H29N3O2 — CID 120579007

IUPAC3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C21H29N3O2/c22-11-9-19(25)23-14-16-6-3-4-12-24(16)20(26)18-13-21(18)10-8-15-5-1-2-7-17(15)21/h1-2,5,7,16,18H,3-4,6,8-14,22H2,(H,23,25)
InChIKeySZXSXCVZGCUPRS-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.74
Rot. Bonds5

About 3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide (PubChem CID 120579007) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide
PubChem CID120579007
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)C1CC12CCc1ccccc12
InChIInChI=1S/C21H29N3O2/c22-11-9-19(25)23-14-16-6-3-4-12-24(16)20(26)18-13-21(18)10-8-15-5-1-2-7-17(15)21/h1-2,5,7,16,18H,3-4,6,8-14,22H2,(H,23,25)
InChIKeySZXSXCVZGCUPRS-UHFFFAOYSA-N
XLogP1.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide with MolForge

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Related Compounds

3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579006
[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea
CID 100615038
(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid
CID 120689782
3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578197
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578975
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
3-amino-N-[[1-(2-naphthalen-2-ylcyclopropanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578692
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide (CID 120579007) is 3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)C1CC12CCc1ccccc12.
What is the InChIKey of 3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is SZXSXCVZGCUPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c22-11-9-19(25)23-14-16-6-3-4-12-24(16)20(26)18-13-21(18)10-8-15-5-1-2-7-17(15)21/h1-2,5,7,16,18H,3-4,6,8-14,22H2,(H,23,25).
What are the key properties of 3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120579007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).