N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide

C20H27ClFN3O2 — CID 166932086

IUPACN-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC(CNC(=O)C1(c2ccc(F)cc2Cl)CCCC1)C1CCN(C=O)CC1
InChIInChI=1S/C20H27ClFN3O2/c21-17-11-15(22)3-4-16(17)20(7-1-2-8-20)19(27)24-12-18(23)14-5-9-25(13-26)10-6-14/h3-4,11,13-14,18H,1-2,5-10,12,23H2,(H,24,27)
InChIKeyJWCNWTWXGDMRRT-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.60
Rot. Bonds6

About N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide

N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 166932086) has the molecular formula C20H27ClFN3O2 and a molecular weight of 395.91 g/mol. Its IUPAC name is N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID166932086
Molecular FormulaC20H27ClFN3O2
Molecular Weight395.91 g/mol
Exact Mass395.18
IUPAC NameN-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC(CNC(=O)C1(c2ccc(F)cc2Cl)CCCC1)C1CCN(C=O)CC1
InChIInChI=1S/C20H27ClFN3O2/c21-17-11-15(22)3-4-16(17)20(7-1-2-8-20)19(27)24-12-18(23)14-5-9-25(13-26)10-6-14/h3-4,11,13-14,18H,1-2,5-10,12,23H2,(H,24,27)
InChIKeyJWCNWTWXGDMRRT-UHFFFAOYSA-N
XLogP2.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86762959
N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 166932067
N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 166932106
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentanecarbonyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67538190
2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide
CID 166932189
1-(2-chloro-4-fluorophenyl)-N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]cyclopentane-1-carboxamide
CID 69351204
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86763007
[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol
CID 131026964
1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438440
N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 1448350
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
2-[[[1-(2,4-difluorophenyl)cyclobutanecarbonyl]amino]methyl]-2-ethylbutanoic acid
CID 120533442

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide (CID 166932086) is N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide is NC(CNC(=O)C1(c2ccc(F)cc2Cl)CCCC1)C1CCN(C=O)CC1.
What is the InChIKey of N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is JWCNWTWXGDMRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClFN3O2/c21-17-11-15(22)3-4-16(17)20(7-1-2-8-20)19(27)24-12-18(23)14-5-9-25(13-26)10-6-14/h3-4,11,13-14,18H,1-2,5-10,12,23H2,(H,24,27).
What are the key properties of N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide?
N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 395.91 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(1-formylpiperidin-4-yl)ethyl]-1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 166932086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).