3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide

C14H29N3O2 — CID 62837451

IUPAC3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCNC(C)CC(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C14H29N3O2/c1-4-15-12(2)11-14(19)17(9-10-18)13-5-7-16(3)8-6-13/h12-13,15,18H,4-11H2,1-3H3
InChIKeyCHRKIGLPCNYMIT-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.29
Rot. Bonds7

About 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide

3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 62837451) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID62837451
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCNC(C)CC(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C14H29N3O2/c1-4-15-12(2)11-14(19)17(9-10-18)13-5-7-16(3)8-6-13/h12-13,15,18H,4-11H2,1-3H3
InChIKeyCHRKIGLPCNYMIT-UHFFFAOYSA-N
XLogP0.29
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide (CID 62837451) is 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide is CCNC(C)CC(=O)N(CCO)C1CCN(C)CC1.
What is the InChIKey of 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is CHRKIGLPCNYMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-15-12(2)11-14(19)17(9-10-18)13-5-7-16(3)8-6-13/h12-13,15,18H,4-11H2,1-3H3.
What are the key properties of 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide?
3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 271.40 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 62837451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).