2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

C9H17ClN2O — CID 16789802

IUPAC2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)CCl)CC1
InChIInChI=1S/C9H17ClN2O/c1-11-5-3-8(4-6-11)12(2)9(13)7-10/h8H,3-7H2,1-2H3
InChIKeyPXHAKNSOWDNIIB-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.78
Rot. Bonds2

About 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 16789802) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID16789802
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)CCl)CC1
InChIInChI=1S/C9H17ClN2O/c1-11-5-3-8(4-6-11)12(2)9(13)7-10/h8H,3-7H2,1-2H3
InChIKeyPXHAKNSOWDNIIB-UHFFFAOYSA-N
XLogP0.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide
CID 66565784
4-amino-N-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 60731508
2-chloro-N-cyclopropyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 66565787
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
2,2-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 65297852
N-(4-hydroxycyclohexyl)-N-methyl-2-(1-methylpiperidin-4-yl)acetamide
CID 115277428
N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide
CID 146091961
2-(2-aminoethoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 79462989
2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 66565746
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
N-methyl-N-(1-methylpiperidin-4-yl)-2-piperidin-2-ylacetamide
CID 43151295
5-cyclohexyl-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 59421574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 16789802) is 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)CCl)CC1.
What is the InChIKey of 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is PXHAKNSOWDNIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O/c1-11-5-3-8(4-6-11)12(2)9(13)7-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 204.70 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 16789802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).