2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide

C16H33N3O — CID 63847464

IUPAC2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCNCC1CCCCN1C(C)C(=O)NC(CC)CC
InChIInChI=1S/C16H33N3O/c1-5-14(6-2)18-16(20)13(4)19-11-9-8-10-15(19)12-17-7-3/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyDBAOELQCZGTNTP-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.14
Rot. Bonds8

About 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide

2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide (PubChem CID 63847464) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
PubChem CID63847464
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCNCC1CCCCN1C(C)C(=O)NC(CC)CC
InChIInChI=1S/C16H33N3O/c1-5-14(6-2)18-16(20)13(4)19-11-9-8-10-15(19)12-17-7-3/h13-15,17H,5-12H2,1-4H3,(H,18,20)
InChIKeyDBAOELQCZGTNTP-UHFFFAOYSA-N
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63847130
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
CID 66260630
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63853461
2-[2-(propylaminomethyl)piperidin-1-yl]propanoic acid
CID 63847846
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid
CID 61010725
ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539233
3-[1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-2-yl]propanoic acid
CID 62217341
2-[2-(propylaminomethyl)piperidin-1-yl]propanamide
CID 63848519
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid
CID 61370335
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid
CID 64660796
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N-pentan-3-ylpropanamide
CID 81108187

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide (CID 63847464) is 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide is CCNCC1CCCCN1C(C)C(=O)NC(CC)CC.
What is the InChIKey of 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide?
The InChIKey is DBAOELQCZGTNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-14(6-2)18-16(20)13(4)19-11-9-8-10-15(19)12-17-7-3/h13-15,17H,5-12H2,1-4H3,(H,18,20).
What are the key properties of 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide?
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide has a molecular weight of 283.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63847464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).