[3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone

C23H29N3O — CID 91832921

IUPAC[3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone
SMILESCc1cc2c(cc1C)CN(c1cccc(C(=O)N3CCCC(CN)C3)c1)C2
InChIInChI=1S/C23H29N3O/c1-16-9-20-14-26(15-21(20)10-17(16)2)22-7-3-6-19(11-22)23(27)25-8-4-5-18(12-24)13-25/h3,6-7,9-11,18H,4-5,8,12-15,24H2,1-2H3
InChIKeyHMMUYIOWPKTTSP-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.63
Rot. Bonds3

About [3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone

[3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone (PubChem CID 91832921) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone
PubChem CID91832921
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone
SMILESCc1cc2c(cc1C)CN(c1cccc(C(=O)N3CCCC(CN)C3)c1)C2
InChIInChI=1S/C23H29N3O/c1-16-9-20-14-26(15-21(20)10-17(16)2)22-7-3-6-19(11-22)23(27)25-8-4-5-18(12-24)13-25/h3,6-7,9-11,18H,4-5,8,12-15,24H2,1-2H3
InChIKeyHMMUYIOWPKTTSP-UHFFFAOYSA-N
XLogP3.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 119465103
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
[3-(3-aminoprop-1-ynyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 60822292
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
[3-(aminomethyl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone;hydrochloride
CID 119464798
[3-(aminomethyl)piperidin-1-yl]-(3,4-diethoxyphenyl)methanone;hydrochloride
CID 119464837
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63767839

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone (CID 91832921) is [3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone is Cc1cc2c(cc1C)CN(c1cccc(C(=O)N3CCCC(CN)C3)c1)C2.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone?
The InChIKey is HMMUYIOWPKTTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16-9-20-14-26(15-21(20)10-17(16)2)22-7-3-6-19(11-22)23(27)25-8-4-5-18(12-24)13-25/h3,6-7,9-11,18H,4-5,8,12-15,24H2,1-2H3.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone?
[3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone has a molecular weight of 363.51 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-[3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methanone is sourced from PubChem (CID 91832921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).