1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone

C21H27N3O — CID 155462113

IUPAC1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone
SMILESC[C@@H]1C[C@H](c2ccc(CN)c3ncccc23)CN(C(=O)CC2CC2)C1
InChIInChI=1S/C21H27N3O/c1-14-9-17(13-24(12-14)20(25)10-15-4-5-15)18-7-6-16(11-22)21-19(18)3-2-8-23-21/h2-3,6-8,14-15,17H,4-5,9-13,22H2,1H3/t14-,17+/m1/s1
InChIKeyQKODHJBVZFMAMO-PBHICJAKSA-N
MW337.47 g/mol
LogP3.45
Rot. Bonds4

About 1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone

1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone (PubChem CID 155462113) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone
PubChem CID155462113
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone
SMILESC[C@@H]1C[C@H](c2ccc(CN)c3ncccc23)CN(C(=O)CC2CC2)C1
InChIInChI=1S/C21H27N3O/c1-14-9-17(13-24(12-14)20(25)10-15-4-5-15)18-7-6-16(11-22)21-19(18)3-2-8-23-21/h2-3,6-8,14-15,17H,4-5,9-13,22H2,1H3/t14-,17+/m1/s1
InChIKeyQKODHJBVZFMAMO-PBHICJAKSA-N
XLogP3.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone with MolForge

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Launch Full Analysis

Related Compounds

Amesergide
CID 9821951
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
6-Isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2(1H)-one
CID 25147691
(3R,4S)-N-cyclopropyl-N-[[6-(3-methoxypropyl)quinolin-8-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 56660076
3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide
CID 59563759
(5R,8R,10R)-1,6-Dimethyl-N-[3-(dimethylamino)propyl]ergoline-8-carboxamide
CID 71528205
3-amino-N-isoquinolin-6-yl-2-naphthalen-2-ylpropanamide
CID 127028824
3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide
CID 127031536
(E)-3-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-N-methylprop-2-enamide
CID 168294910
N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-naphthalen-2-ylacetamide
CID 9801682
N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide
CID 9913344

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone?
The IUPAC name of 1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone (CID 155462113) is 1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone?
The canonical SMILES for 1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone is C[C@@H]1C[C@H](c2ccc(CN)c3ncccc23)CN(C(=O)CC2CC2)C1.
What is the InChIKey of 1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone?
The InChIKey is QKODHJBVZFMAMO-PBHICJAKSA-N. The full InChI is InChI=1S/C21H27N3O/c1-14-9-17(13-24(12-14)20(25)10-15-4-5-15)18-7-6-16(11-22)21-19(18)3-2-8-23-21/h2-3,6-8,14-15,17H,4-5,9-13,22H2,1H3/t14-,17+/m1/s1.
What are the key properties of 1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone?
1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone has a molecular weight of 337.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3-[8-(aminomethyl)quinolin-5-yl]-5-methylpiperidin-1-yl]-2-cyclopropylethanone is sourced from PubChem (CID 155462113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).