2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride

C10H20Cl2N2O — CID 54593359

IUPAC2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC(C)N1CCC(NC(=O)CCl)CC1.Cl
InChIInChI=1S/C10H19ClN2O.ClH/c1-8(2)13-5-3-9(4-6-13)12-10(14)7-11;/h8-9H,3-7H2,1-2H3,(H,12,14);1H
InChIKeyBAGVNQNBBYOUEB-UHFFFAOYSA-N
MW255.19 g/mol
LogP1.64
Rot. Bonds3

About 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride

2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 54593359) has the molecular formula C10H20Cl2N2O and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID54593359
Molecular FormulaC10H20Cl2N2O
Molecular Weight255.19 g/mol
Exact Mass254.10
IUPAC Name2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
SMILESCC(C)N1CCC(NC(=O)CCl)CC1.Cl
InChIInChI=1S/C10H19ClN2O.ClH/c1-8(2)13-5-3-9(4-6-13)12-10(14)7-11;/h8-9H,3-7H2,1-2H3,(H,12,14);1H
InChIKeyBAGVNQNBBYOUEB-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 51.64
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-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 126988298
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 43700529
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 79200680
2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 43424767
2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758
2-(azetidin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 64618765
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
CID 60669009
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride (CID 54593359) is 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride is CC(C)N1CCC(NC(=O)CCl)CC1.Cl.
What is the InChIKey of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is BAGVNQNBBYOUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O.ClH/c1-8(2)13-5-3-9(4-6-13)12-10(14)7-11;/h8-9H,3-7H2,1-2H3,(H,12,14);1H.
What are the key properties of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride?
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 255.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 54593359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).