N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide

C16H33N3O2 — CID 63848663

IUPACN-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
SMILESCOCCNC(=O)C(C)N1CCCC(CNCC(C)C)C1
InChIInChI=1S/C16H33N3O2/c1-13(2)10-17-11-15-6-5-8-19(12-15)14(3)16(20)18-7-9-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyFJEJUXBBMAOQJK-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.10
Rot. Bonds9

About N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide

N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide (PubChem CID 63848663) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
PubChem CID63848663
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
SMILESCOCCNC(=O)C(C)N1CCCC(CNCC(C)C)C1
InChIInChI=1S/C16H33N3O2/c1-13(2)10-17-11-15-6-5-8-19(12-15)14(3)16(20)18-7-9-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyFJEJUXBBMAOQJK-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
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

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 55150446
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
1-(2-methoxyethyl)-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 110940126
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63760320
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920649
N-cyclopentyl-2-[3-(ethylaminomethyl)piperidin-1-yl]propanamide
CID 63849664
(2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
CID 98761337
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide (CID 63848663) is N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide is COCCNC(=O)C(C)N1CCCC(CNCC(C)C)C1.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
The InChIKey is FJEJUXBBMAOQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-13(2)10-17-11-15-6-5-8-19(12-15)14(3)16(20)18-7-9-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide has a molecular weight of 299.46 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 63848663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).