1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide

C11H16Cl2N2O2 — CID 30534375

IUPAC1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide
SMILESC[C@@]1(C(=O)N2CCC(C(N)=O)CC2)CC1(Cl)Cl
InChIInChI=1S/C11H16Cl2N2O2/c1-10(6-11(10,12)13)9(17)15-4-2-7(3-5-15)8(14)16/h7H,2-6H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyLXWXSKPAXBZJBB-JTQLQIEISA-N
MW279.17 g/mol
LogP1.29
Rot. Bonds2

About 1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide

1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide (PubChem CID 30534375) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide
PubChem CID30534375
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide
SMILESC[C@@]1(C(=O)N2CCC(C(N)=O)CC2)CC1(Cl)Cl
InChIInChI=1S/C11H16Cl2N2O2/c1-10(6-11(10,12)13)9(17)15-4-2-7(3-5-15)8(14)16/h7H,2-6H2,1H3,(H2,14,16)/t10-/m0/s1
InChIKeyLXWXSKPAXBZJBB-JTQLQIEISA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.29
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

(2,2-dichloro-1-methylcyclopropyl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883903
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454652
(2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155470189
1-(1-aminocyclopropanecarbonyl)piperidine-4-carboxamide
CID 65466552
(4-cyclopentylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone
CID 134020620
cis-(1S,3R)-3-(4-carbamoylpiperidine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 51674196
1-(4-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575168
1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide
CID 17311906
1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide
CID 129497512
1-but-2-enoylpiperidine-4-carboxamide
CID 78907164
1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide
CID 82109099
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 28842887

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide (CID 30534375) is 1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide is C[C@@]1(C(=O)N2CCC(C(N)=O)CC2)CC1(Cl)Cl.
What is the InChIKey of 1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide?
The InChIKey is LXWXSKPAXBZJBB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16Cl2N2O2/c1-10(6-11(10,12)13)9(17)15-4-2-7(3-5-15)8(14)16/h7H,2-6H2,1H3,(H2,14,16)/t10-/m0/s1.
What are the key properties of 1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide?
1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide has a molecular weight of 279.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 30534375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).