N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide

C9H16Cl2N2O — CID 130551928

IUPACN-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCC(Cl)Cl)C1
InChIInChI=1S/C9H16Cl2N2O/c1-6-2-3-12-7(4-6)9(14)13-5-8(10)11/h6-8,12H,2-5H2,1H3,(H,13,14)
InChIKeyDQAQPNLQFCXDRJ-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.29
Rot. Bonds3

About N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide

N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide (PubChem CID 130551928) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
PubChem CID130551928
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC NameN-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCC(Cl)Cl)C1
InChIInChI=1S/C9H16Cl2N2O/c1-6-2-3-12-7(4-6)9(14)13-5-8(10)11/h6-8,12H,2-5H2,1H3,(H,13,14)
InChIKeyDQAQPNLQFCXDRJ-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
N-(2-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
CID 114424521
N-(2-ethoxypropyl)-4-methylpiperidine-2-carboxamide
CID 114424533
N-(2-hydroxypentyl)-4-methylpiperidine-2-carboxamide
CID 114424561
4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide
CID 114424544
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
CID 107475534
N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
CID 103461667
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006
4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide
CID 106186997
N-[2-(dimethylamino)-2-phenylethyl]-4-methylpiperidine-2-carboxamide
CID 114423675

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide (CID 130551928) is N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)NCC(Cl)Cl)C1.
What is the InChIKey of N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is DQAQPNLQFCXDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2N2O/c1-6-2-3-12-7(4-6)9(14)13-5-8(10)11/h6-8,12H,2-5H2,1H3,(H,13,14).
What are the key properties of N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide?
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 239.15 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 130551928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).