(2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride

C19H27ClN2O — CID 120572403

IUPAC(2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
SMILESCC1NCCN(C(=O)C2CC23CCCc2ccccc23)C1C.Cl
InChIInChI=1S/C19H26N2O.ClH/c1-13-14(2)21(11-10-20-13)18(22)17-12-19(17)9-5-7-15-6-3-4-8-16(15)19;/h3-4,6,8,13-14,17,20H,5,7,9-12H2,1-2H3;1H
InChIKeyPCIIWIQZFNIQRR-UHFFFAOYSA-N
MW334.89 g/mol
LogP2.91
Rot. Bonds1

About (2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride

(2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride (PubChem CID 120572403) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
PubChem CID120572403
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name(2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
SMILESCC1NCCN(C(=O)C2CC23CCCc2ccccc23)C1C.Cl
InChIInChI=1S/C19H26N2O.ClH/c1-13-14(2)21(11-10-20-13)18(22)17-12-19(17)9-5-7-15-6-3-4-8-16(15)19;/h3-4,6,8,13-14,17,20H,5,7,9-12H2,1-2H3;1H
InChIKeyPCIIWIQZFNIQRR-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one
CID 124732448
3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one
CID 119032912
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
(3S,4S)-4-methyl-1-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952047
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
(3-hydroxypiperidin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone
CID 111477051
(2-hydroxyphenyl)-[(1'S,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanone
CID 139114969
(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid
CID 120689782
[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea
CID 100615038
[2-(2-chlorophenyl)piperazin-1-yl]-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethanone
CID 120738147
N-piperidin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119427333

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride (CID 120572403) is (2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride is CC1NCCN(C(=O)C2CC23CCCc2ccccc23)C1C.Cl.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
The InChIKey is PCIIWIQZFNIQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.ClH/c1-13-14(2)21(11-10-20-13)18(22)17-12-19(17)9-5-7-15-6-3-4-8-16(15)19;/h3-4,6,8,13-14,17,20H,5,7,9-12H2,1-2H3;1H.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride?
(2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride is sourced from PubChem (CID 120572403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).