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

C15H31N3O2 — CID 63847171

IUPAC2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCCNCC1CCN(C(C)C(=O)NCCCOC)CC1
InChIInChI=1S/C15H31N3O2/c1-4-16-12-14-6-9-18(10-7-14)13(2)15(19)17-8-5-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeySXZPPILTSVKBRN-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.85
Rot. Bonds9

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

2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 63847171) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID63847171
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCCNCC1CCN(C(C)C(=O)NCCCOC)CC1
InChIInChI=1S/C15H31N3O2/c1-4-16-12-14-6-9-18(10-7-14)13(2)15(19)17-8-5-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeySXZPPILTSVKBRN-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
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-[4-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide;hydrochloride
CID 119928199
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 110898270
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433
N-carbamoyl-2-[4-(ethylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119928173
N-(3-methoxypropyl)-2-[3-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114499096
N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
CID 114499445
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
CID 63847727
N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
CID 120704343
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 107160661
2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide
CID 63849612

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide (CID 63847171) is 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide is CCNCC1CCN(C(C)C(=O)NCCCOC)CC1.
What is the InChIKey of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is SXZPPILTSVKBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-16-12-14-6-9-18(10-7-14)13(2)15(19)17-8-5-11-20-3/h13-14,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 285.43 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 63847171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).