N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide

C16H33N3O2 — CID 114499445

IUPACN-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
SMILESCCCNC1CCN(C(C)C(=O)NCCCOC)CC1C
InChIInChI=1S/C16H33N3O2/c1-5-8-17-15-7-10-19(12-13(15)2)14(3)16(20)18-9-6-11-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyLVVCCHCPYXPLKM-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.24
Rot. Bonds9

About N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide

N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide (PubChem CID 114499445) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
PubChem CID114499445
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
SMILESCCCNC1CCN(C(C)C(=O)NCCCOC)CC1C
InChIInChI=1S/C16H33N3O2/c1-5-8-17-15-7-10-19(12-13(15)2)14(3)16(20)18-9-6-11-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyLVVCCHCPYXPLKM-UHFFFAOYSA-N
XLogP1.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.24
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-(3-methoxypropyl)-2-[3-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114499096
2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 114507664
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 103577229
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide
CID 114499454
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
N-cyclopentyl-2-[4-(ethylamino)-3-methylpiperidin-1-yl]propanamide
CID 114499262
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 55150446
2-[3-methyl-4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 114499044
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 110898270
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
N,N-diethyl-2-[4-(ethylamino)-3-methylpiperidin-1-yl]propanamide
CID 114499277

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide (CID 114499445) is N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide is CCCNC1CCN(C(C)C(=O)NCCCOC)CC1C.
What is the InChIKey of N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide?
The InChIKey is LVVCCHCPYXPLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-8-17-15-7-10-19(12-13(15)2)14(3)16(20)18-9-6-11-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide?
N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide has a molecular weight of 299.46 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide is sourced from PubChem (CID 114499445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).