2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide

C9H16ClN3O2 — CID 43425925

IUPAC2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C9H16ClN3O2/c10-5-9(15)12-7-1-3-13(4-2-7)6-8(11)14/h7H,1-6H2,(H2,11,14)(H,12,15)
InChIKeyFMYPWISYKYWNQT-UHFFFAOYSA-N
MW233.70 g/mol
LogP-0.71
Rot. Bonds4

About 2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide

2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide (PubChem CID 43425925) has the molecular formula C9H16ClN3O2 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
PubChem CID43425925
Molecular FormulaC9H16ClN3O2
Molecular Weight233.70 g/mol
Exact Mass233.09
IUPAC Name2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C9H16ClN3O2/c10-5-9(15)12-7-1-3-13(4-2-7)6-8(11)14/h7H,1-6H2,(H2,11,14)(H,12,15)
InChIKeyFMYPWISYKYWNQT-UHFFFAOYSA-N
XLogP-0.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclopropylmethylamino)acetamide
CID 60868376
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(tert-butylamino)acetamide
CID 49487861
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 63680196
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]prop-2-enamide
CID 43700635
2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 43424767
5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934911
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxamide
CID 130678398
2-hydroxyethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate
CID 79346332
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
CID 43700629
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 134047741
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide
CID 134047749

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide (CID 43425925) is 2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NC(=O)CCl)CC1.
What is the InChIKey of 2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide?
The InChIKey is FMYPWISYKYWNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2/c10-5-9(15)12-7-1-3-13(4-2-7)6-8(11)14/h7H,1-6H2,(H2,11,14)(H,12,15).
What are the key properties of 2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide?
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide has a molecular weight of 233.70 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 43425925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).