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

C11H21ClN2O — CID 107163376

IUPAC2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
SMILESCC(Cl)C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C11H21ClN2O/c1-9(12)10(15)13-8-11(2)4-6-14(3)7-5-11/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyAQJCRVZECMWZRF-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.46
Rot. Bonds3

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

2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide (PubChem CID 107163376) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
PubChem CID107163376
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
SMILESCC(Cl)C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C11H21ClN2O/c1-9(12)10(15)13-8-11(2)4-6-14(3)7-5-11/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyAQJCRVZECMWZRF-UHFFFAOYSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.46
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

4-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 107163980
(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide
CID 107163870
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
CID 107163906
3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
CID 103993093
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 107163556
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-propan-2-ylthiourea
CID 103975349
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 107164956
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107162879
(2S,3S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-3-methylpentanoic acid
CID 107164847
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide
CID 136521862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide (CID 107163376) is 2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide is CC(Cl)C(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of 2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide?
The InChIKey is AQJCRVZECMWZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O/c1-9(12)10(15)13-8-11(2)4-6-14(3)7-5-11/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide?
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide has a molecular weight of 232.75 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 107163376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).