2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide

C14H29N3O2 — CID 63848445

IUPAC2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCOCCNCC1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-12(14(18)16(2)3)17-8-5-13(6-9-17)11-15-7-10-19-4/h12-13,15H,5-11H2,1-4H3
InChIKeyOCDMBXKMWUKQFF-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.41
Rot. Bonds7

About 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide

2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 63848445) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
PubChem CID63848445
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCOCCNCC1CCN(C(C)C(=O)N(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-12(14(18)16(2)3)17-8-5-13(6-9-17)11-15-7-10-19-4/h12-13,15H,5-11H2,1-4H3
InChIKeyOCDMBXKMWUKQFF-UHFFFAOYSA-N
XLogP0.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 55257019
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 55257971
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 55257781
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63848275
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
1-[1-(dimethylamino)-1-oxopropan-2-yl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 86993216
2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 63847237
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 55258397
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide (CID 63848445) is 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide is COCCNCC1CCN(C(C)C(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is OCDMBXKMWUKQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(14(18)16(2)3)17-8-5-13(6-9-17)11-15-7-10-19-4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 271.40 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 63848445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).