N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide

C15H31N3O2 — CID 63847154

IUPACN-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCNCC1CCCCN1CC(=O)NC(C)COC
InChIInChI=1S/C15H31N3O2/c1-4-8-16-10-14-7-5-6-9-18(14)11-15(19)17-13(2)12-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyWSWNFVPSGYCFBK-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.99
Rot. Bonds9

About N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide

N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63847154) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63847154
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
SMILESCCCNCC1CCCCN1CC(=O)NC(C)COC
InChIInChI=1S/C15H31N3O2/c1-4-8-16-10-14-7-5-6-9-18(14)11-15(19)17-13(2)12-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyWSWNFVPSGYCFBK-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-propan-2-ylpropanamide
CID 63853747
N-cyclopropyl-2-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 55257989
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63847650
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63855304
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N-[[1-(2-methylidenebutyl)piperidin-2-yl]methyl]propan-1-amine
CID 66039743
N-butan-2-yl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690066
N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine
CID 62580582

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide (CID 63847154) is N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide is CCCNCC1CCCCN1CC(=O)NC(C)COC.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is WSWNFVPSGYCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-8-16-10-14-7-5-6-9-18(14)11-15(19)17-13(2)12-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide?
N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 285.43 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63847154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).