2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide

C10H17ClN2O — CID 43424767

IUPAC2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESO=C(CCl)NC1CCN(C2CC2)CC1
InChIInChI=1S/C10H17ClN2O/c11-7-10(14)12-8-3-5-13(6-4-8)9-1-2-9/h8-9H,1-7H2,(H,12,14)
InChIKeyKGOXTKJOOCSPOH-UHFFFAOYSA-N
MW216.71 g/mol
LogP0.97
Rot. Bonds3

About 2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide

2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide (PubChem CID 43424767) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide
PubChem CID43424767
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESO=C(CCl)NC1CCN(C2CC2)CC1
InChIInChI=1S/C10H17ClN2O/c11-7-10(14)12-8-3-5-13(6-4-8)9-1-2-9/h8-9H,1-7H2,(H,12,14)
InChIKeyKGOXTKJOOCSPOH-UHFFFAOYSA-N
XLogP0.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide (CID 43424767) is 2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide is O=C(CCl)NC1CCN(C2CC2)CC1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The InChIKey is KGOXTKJOOCSPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O/c11-7-10(14)12-8-3-5-13(6-4-8)9-1-2-9/h8-9H,1-7H2,(H,12,14).
What are the key properties of 2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide?
2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide has a molecular weight of 216.71 g/mol, XLogP of 0.97, 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-cyclopropylpiperidin-4-yl)acetamide is sourced from PubChem (CID 43424767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).