N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide

C18H23Cl2N3O2 — CID 119479658

IUPACN-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)C2CC2c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H23Cl2N3O2/c19-13-6-12(7-14(20)8-13)15-9-16(15)18(25)23-5-1-2-11(10-23)17(24)22-4-3-21/h6-8,11,15-16H,1-5,9-10,21H2,(H,22,24)
InChIKeyXPLDWIVSTSWROB-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.41
Rot. Bonds5

About N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide (PubChem CID 119479658) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
PubChem CID119479658
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC NameN-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)C2CC2c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H23Cl2N3O2/c19-13-6-12(7-14(20)8-13)15-9-16(15)18(25)23-5-1-2-11(10-23)17(24)22-4-3-21/h6-8,11,15-16H,1-5,9-10,21H2,(H,22,24)
InChIKeyXPLDWIVSTSWROB-UHFFFAOYSA-N
XLogP2.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 119382396
[2-(3,5-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395248
(3R)-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 125134395
N-(2-aminoethyl)-1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxamide
CID 64766671
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
(3S)-3-N-[2-(3,5-dichlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 95160101
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxamide
CID 106688486
N-(2-aminoethyl)-1-[2-[(4-chlorophenyl)methylcarbamoylamino]acetyl]piperidine-3-carboxamide
CID 119480384
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide (CID 119479658) is N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)C2CC2c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The InChIKey is XPLDWIVSTSWROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2/c19-13-6-12(7-14(20)8-13)15-9-16(15)18(25)23-5-1-2-11(10-23)17(24)22-4-3-21/h6-8,11,15-16H,1-5,9-10,21H2,(H,22,24).
What are the key properties of N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide has a molecular weight of 384.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119479658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).