2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide

C16H22Cl2N2O2 — CID 51162655

IUPAC2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(c2ccco2)N2CCCCC2)CC1(Cl)Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-15(11-16(15,17)18)14(21)19-10-12(13-6-5-9-22-13)20-7-3-2-4-8-20/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,19,21)
InChIKeyOLTQJBHYDBSNRG-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.51
Rot. Bonds5

About 2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 51162655) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide
PubChem CID51162655
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC(c2ccco2)N2CCCCC2)CC1(Cl)Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-15(11-16(15,17)18)14(21)19-10-12(13-6-5-9-22-13)20-7-3-2-4-8-20/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,19,21)
InChIKeyOLTQJBHYDBSNRG-UHFFFAOYSA-N
XLogP3.51
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide
CID 61250554
1-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclobutane-1-carboxamide
CID 81172062
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]adamantane-1-carboxamide
CID 4880413
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 40752691
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94021840
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430213
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide (CID 51162655) is 2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCC(c2ccco2)N2CCCCC2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is OLTQJBHYDBSNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-15(11-16(15,17)18)14(21)19-10-12(13-6-5-9-22-13)20-7-3-2-4-8-20/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of 2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 345.27 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 51162655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).