3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C19H27Cl2N3O3 — CID 120579738

IUPAC3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H26ClN3O3.ClH/c20-15-4-5-17-13(10-15)9-14(12-26-17)19(25)23-8-2-1-3-16(23)11-22-18(24)6-7-21;/h4-5,10,14,16H,1-3,6-9,11-12,21H2,(H,22,24);1H
InChIKeyQYASPXLHZIJXDP-UHFFFAOYSA-N
MW416.35 g/mol
LogP2.16
Rot. Bonds5

About 3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579738) has the molecular formula C19H27Cl2N3O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is 3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579738
Molecular FormulaC19H27Cl2N3O3
Molecular Weight416.35 g/mol
Exact Mass415.14
IUPAC Name3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H26ClN3O3.ClH/c20-15-4-5-17-13(10-15)9-14(12-26-17)19(25)23-8-2-1-3-16(23)11-22-18(24)6-7-21;/h4-5,10,14,16H,1-3,6-9,11-12,21H2,(H,22,24);1H
InChIKeyQYASPXLHZIJXDP-UHFFFAOYSA-N
XLogP2.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone
CID 119631032
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578197
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 56817132
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578788
3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide
CID 120579645
3-amino-N-[[1-[2-(3-chlorophenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120579881
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579738) is 3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is QYASPXLHZIJXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3.ClH/c20-15-4-5-17-13(10-15)9-14(12-26-17)19(25)23-8-2-1-3-16(23)11-22-18(24)6-7-21;/h4-5,10,14,16H,1-3,6-9,11-12,21H2,(H,22,24);1H.
What are the key properties of 3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 416.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).