2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide

C14H24Cl2N2O — CID 78785737

IUPAC2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(C)CC1(Cl)Cl)N1CCCCC1
InChIInChI=1S/C14H24Cl2N2O/c1-12(2,18-7-5-4-6-8-18)10-17-11(19)13(3)9-14(13,15)16/h4-10H2,1-3H3,(H,17,19)
InChIKeyYQYDFJPDQYAATJ-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.95
Rot. Bonds4

About 2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 78785737) has the molecular formula C14H24Cl2N2O and a molecular weight of 307.27 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
PubChem CID78785737
Molecular FormulaC14H24Cl2N2O
Molecular Weight307.27 g/mol
Exact Mass306.13
IUPAC Name2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(C)CC1(Cl)Cl)N1CCCCC1
InChIInChI=1S/C14H24Cl2N2O/c1-12(2,18-7-5-4-6-8-18)10-17-11(19)13(3)9-14(13,15)16/h4-10H2,1-3H3,(H,17,19)
InChIKeyYQYDFJPDQYAATJ-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-2-piperidin-1-ylpropyl)-2-methylsulfanylacetamide
CID 78785728
tert-butyl (2R)-3-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoate
CID 97308976
1-amino-N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 61248465
(1S)-2,2-dichloro-1-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51868895
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111618380
2,2-dichloro-1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51213391
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111120835
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111453991
tert-butyl N-[2-methyl-1-[[N'-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)carbamimidoyl]amino]propan-2-yl]carbamate
CID 111774992
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 110911642
1-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 115435181
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111503992

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide (CID 78785737) is 2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide is CC(C)(CNC(=O)C1(C)CC1(Cl)Cl)N1CCCCC1.
What is the InChIKey of 2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is YQYDFJPDQYAATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Cl2N2O/c1-12(2,18-7-5-4-6-8-18)10-17-11(19)13(3)9-14(13,15)16/h4-10H2,1-3H3,(H,17,19).
What are the key properties of 2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 307.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 78785737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).