3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide

C19H25Cl2N3O2 — CID 120579645

IUPAC3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H25Cl2N3O2/c20-16-5-4-12(9-17(16)21)14-10-15(14)19(26)24-8-2-1-3-13(24)11-23-18(25)6-7-22/h4-5,9,13-15H,1-3,6-8,10-11,22H2,(H,23,25)
InChIKeyJYRUZMNJVURCAF-UHFFFAOYSA-N
MW398.33 g/mol
LogP2.94
Rot. Bonds6

About 3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120579645) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide
PubChem CID120579645
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide
SMILESNCCC(=O)NCC1CCCCN1C(=O)C1CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H25Cl2N3O2/c20-16-5-4-12(9-17(16)21)14-10-15(14)19(26)24-8-2-1-3-13(24)11-23-18(25)6-7-22/h4-5,9,13-15H,1-3,6-8,10-11,22H2,(H,23,25)
InChIKeyJYRUZMNJVURCAF-UHFFFAOYSA-N
XLogP2.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(2-naphthalen-2-ylcyclopropanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578692
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579868
3-amino-N-[[1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579912
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
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
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide (CID 120579645) is 3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide is NCCC(=O)NCC1CCCCN1C(=O)C1CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is JYRUZMNJVURCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2/c20-16-5-4-12(9-17(16)21)14-10-15(14)19(26)24-8-2-1-3-13(24)11-23-18(25)6-7-22/h4-5,9,13-15H,1-3,6-8,10-11,22H2,(H,23,25).
What are the key properties of 3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 398.33 g/mol, XLogP of 2.94, 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-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120579645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).