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

C17H35N3O — CID 63853461

IUPAC2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCNC(C)C1CCCCN1C(C)C(=O)NC(CC)CC
InChIInChI=1S/C17H35N3O/c1-6-15(7-2)19-17(21)14(5)20-12-10-9-11-16(20)13(4)18-8-3/h13-16,18H,6-12H2,1-5H3,(H,19,21)
InChIKeyADKDFMVDRGUMBM-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.53
Rot. Bonds8

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

2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide (PubChem CID 63853461) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide
PubChem CID63853461
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide
SMILESCCNC(C)C1CCCCN1C(C)C(=O)NC(CC)CC
InChIInChI=1S/C17H35N3O/c1-6-15(7-2)19-17(21)14(5)20-12-10-9-11-16(20)13(4)18-8-3/h13-16,18H,6-12H2,1-5H3,(H,19,21)
InChIKeyADKDFMVDRGUMBM-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide (CID 63853461) is 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide is CCNC(C)C1CCCCN1C(C)C(=O)NC(CC)CC.
What is the InChIKey of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide?
The InChIKey is ADKDFMVDRGUMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-6-15(7-2)19-17(21)14(5)20-12-10-9-11-16(20)13(4)18-8-3/h13-16,18H,6-12H2,1-5H3,(H,19,21).
What are the key properties of 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide?
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide has a molecular weight of 297.49 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63853461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).