2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide

C16H33N3O2 — CID 114507664

IUPAC2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCCCNC1CCN(C(C)C(=O)NCCOC)CC1CC
InChIInChI=1S/C16H33N3O2/c1-5-8-17-15-7-10-19(12-14(15)6-2)13(3)16(20)18-9-11-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyDYMPPPNMGWKXOH-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.24
Rot. Bonds9

About 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide

2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 114507664) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID114507664
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCCCNC1CCN(C(C)C(=O)NCCOC)CC1CC
InChIInChI=1S/C16H33N3O2/c1-5-8-17-15-7-10-19(12-14(15)6-2)13(3)16(20)18-9-11-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyDYMPPPNMGWKXOH-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-(propylamino)piperidin-1-yl]propanamide
CID 114499445
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 55150446
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 114449206
2-[3-ethyl-4-(ethylamino)piperidin-1-yl]propanamide
CID 114507497
N-(3-methoxypropyl)-2-[3-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114499096
N-cyclopropyl-2-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507912
N-tert-butyl-2-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507937
2-[1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidin-4-yl]oxyacetic acid
CID 63902809
2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 114507963
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 112630167
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 81460274

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide (CID 114507664) is 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide is CCCNC1CCN(C(C)C(=O)NCCOC)CC1CC.
What is the InChIKey of 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is DYMPPPNMGWKXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-8-17-15-7-10-19(12-14(15)6-2)13(3)16(20)18-9-11-21-4/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide?
2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)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 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 114507664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).