5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide

C12H23ClN2O — CID 62546411

IUPAC5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
SMILESCN1CCCC(N(C)C(=O)CCCCCl)C1
InChIInChI=1S/C12H23ClN2O/c1-14-9-5-6-11(10-14)15(2)12(16)7-3-4-8-13/h11H,3-10H2,1-2H3
InChIKeyUXWCMMQRZIGEMD-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.95
Rot. Bonds5

About 5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide

5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide (PubChem CID 62546411) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
PubChem CID62546411
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
SMILESCN1CCCC(N(C)C(=O)CCCCCl)C1
InChIInChI=1S/C12H23ClN2O/c1-14-9-5-6-11(10-14)15(2)12(16)7-3-4-8-13/h11H,3-10H2,1-2H3
InChIKeyUXWCMMQRZIGEMD-UHFFFAOYSA-N
XLogP1.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 54916159
5-chloro-N-cyclopropyl-N-methylpentanamide
CID 43264877
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
2-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 64610616
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054
2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 63613912
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
5-cyclohexyl-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 59421574
5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide
CID 60948355
7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
CID 62547378
3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115173733

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide?
The IUPAC name of 5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide (CID 62546411) is 5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide?
The canonical SMILES for 5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide is CN1CCCC(N(C)C(=O)CCCCCl)C1.
What is the InChIKey of 5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide?
The InChIKey is UXWCMMQRZIGEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O/c1-14-9-5-6-11(10-14)15(2)12(16)7-3-4-8-13/h11H,3-10H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide?
5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide has a molecular weight of 246.78 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide is sourced from PubChem (CID 62546411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).