N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide

C12H22ClN3O2 — CID 63680196

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H22ClN3O2/c1-12(2,8-13)11(18)15-9-3-5-16(6-4-9)7-10(14)17/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyZYJDPBUJAYLVNX-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.32
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide (PubChem CID 63680196) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
PubChem CID63680196
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H22ClN3O2/c1-12(2,8-13)11(18)15-9-3-5-16(6-4-9)7-10(14)17/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyZYJDPBUJAYLVNX-UHFFFAOYSA-N
XLogP0.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.32
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-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide
CID 63681125
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
CID 43425925
3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 63680198
3-chloro-N-cyclobutyl-2,2-dimethylpropanamide
CID 63664456
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(tert-butylamino)acetamide
CID 49487861
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]prop-2-enamide
CID 43700635
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834906
2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986
N-[2-[[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111992127

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide (CID 63680196) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide?
The InChIKey is ZYJDPBUJAYLVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O2/c1-12(2,8-13)11(18)15-9-3-5-16(6-4-9)7-10(14)17/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide has a molecular weight of 275.78 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 63680196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).