2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide

C11H20ClN3O2 — CID 114505682

IUPAC2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NC1CCN(C)CC1C
InChIInChI=1S/C11H20ClN3O2/c1-7-6-15(3)5-4-9(7)13-11(17)14-10(16)8(2)12/h7-9H,4-6H2,1-3H3,(H2,13,14,16,17)
InChIKeyLYLHWKNFQHCREL-UHFFFAOYSA-N
MW261.75 g/mol
LogP0.78
Rot. Bonds2

About 2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide

2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide (PubChem CID 114505682) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide
PubChem CID114505682
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NC1CCN(C)CC1C
InChIInChI=1S/C11H20ClN3O2/c1-7-6-15(3)5-4-9(7)13-11(17)14-10(16)8(2)12/h7-9H,4-6H2,1-3H3,(H2,13,14,16,17)
InChIKeyLYLHWKNFQHCREL-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 50.78
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

2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide
CID 62410358
5-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 114504596
N-(1,3-dimethylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 115598650
(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide
CID 103814191
1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 114505369
4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114505373
ethyl 2-amino-3-[(1,3-dimethylpiperidin-4-yl)amino]-3-oxopropanoate
CID 114503628
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide
CID 115649947
ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 115649950
2-chloro-N-(cyclohexylcarbamoyl)propanamide
CID 3827198
N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide
CID 162424010
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115649942

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide (CID 114505682) is 2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)NC1CCN(C)CC1C.
What is the InChIKey of 2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide?
The InChIKey is LYLHWKNFQHCREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O2/c1-7-6-15(3)5-4-9(7)13-11(17)14-10(16)8(2)12/h7-9H,4-6H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide?
2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide has a molecular weight of 261.75 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide is sourced from PubChem (CID 114505682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).