phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride

C24H29ClN2O — CID 129284793

IUPACphenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCC(CN[C@@H]2C[C@@]23CCc2ccccc23)CC1
InChIInChI=1S/C24H28N2O.ClH/c27-23(20-7-2-1-3-8-20)26-14-11-18(12-15-26)17-25-22-16-24(22)13-10-19-6-4-5-9-21(19)24;/h1-9,18,22,25H,10-17H2;1H/t22-,24-;/m1./s1
InChIKeyWFOOFYGYPMDKEX-NOURSWRJSA-N
MW396.96 g/mol
LogP4.21
Rot. Bonds4

About phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride

phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride (PubChem CID 129284793) has the molecular formula C24H29ClN2O and a molecular weight of 396.96 g/mol. Its IUPAC name is phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namephenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride
PubChem CID129284793
Molecular FormulaC24H29ClN2O
Molecular Weight396.96 g/mol
Exact Mass396.20
IUPAC Namephenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCC(CN[C@@H]2C[C@@]23CCc2ccccc23)CC1
InChIInChI=1S/C24H28N2O.ClH/c27-23(20-7-2-1-3-8-20)26-14-11-18(12-15-26)17-25-22-16-24(22)13-10-19-6-4-5-9-21(19)24;/h1-9,18,22,25H,10-17H2;1H/t22-,24-;/m1./s1
InChIKeyWFOOFYGYPMDKEX-NOURSWRJSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.96
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

tert-butyl 4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidine-1-carboxylate
CID 129285392
(1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride
CID 129285061
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 119621878
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
1-(1-adamantyl)-1-amino-3-[(1-benzoylpiperidin-4-yl)methyl]urea
CID 121440834
2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120990471
tert-butyl 4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)piperidine-1-carboxylate
CID 122463512
(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 129294066
[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 142340211
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride (CID 129284793) is phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride is Cl.O=C(c1ccccc1)N1CCC(CN[C@@H]2C[C@@]23CCc2ccccc23)CC1.
What is the InChIKey of phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride?
The InChIKey is WFOOFYGYPMDKEX-NOURSWRJSA-N. The full InChI is InChI=1S/C24H28N2O.ClH/c27-23(20-7-2-1-3-8-20)26-14-11-18(12-15-26)17-25-22-16-24(22)13-10-19-6-4-5-9-21(19)24;/h1-9,18,22,25H,10-17H2;1H/t22-,24-;/m1./s1.
What are the key properties of phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride?
phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 396.96 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]amino]methyl]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 129284793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).