3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C19H26Cl2FN3O2 — CID 120579868

IUPAC3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C19H25ClFN3O2.ClH/c20-15-5-3-6-16(21)18(15)13-10-14(13)19(26)24-9-2-1-4-12(24)11-23-17(25)7-8-22;/h3,5-6,12-14H,1-2,4,7-11,22H2,(H,23,25);1H
InChIKeyNFTOUPPQRUGPGF-UHFFFAOYSA-N
MW418.34 g/mol
LogP2.85
Rot. Bonds6

About 3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579868) has the molecular formula C19H26Cl2FN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579868
Molecular FormulaC19H26Cl2FN3O2
Molecular Weight418.34 g/mol
Exact Mass417.14
IUPAC Name3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C19H25ClFN3O2.ClH/c20-15-5-3-6-16(21)18(15)13-10-14(13)19(26)24-9-2-1-4-12(24)11-23-17(25)7-8-22;/h3,5-6,12-14H,1-2,4,7-11,22H2,(H,23,25);1H
InChIKeyNFTOUPPQRUGPGF-UHFFFAOYSA-N
XLogP2.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloro-6-fluorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651721
3-amino-N-[[1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579912
3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide
CID 120579645
3-amino-N-[[1-(2-naphthalen-2-ylcyclopropanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578692
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910902
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579868) is 3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)C1CC1c1c(F)cccc1Cl.
What is the InChIKey of 3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is NFTOUPPQRUGPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClFN3O2.ClH/c20-15-5-3-6-16(21)18(15)13-10-14(13)19(26)24-9-2-1-4-12(24)11-23-17(25)7-8-22;/h3,5-6,12-14H,1-2,4,7-11,22H2,(H,23,25);1H.
What are the key properties of 3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 418.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).