2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide

C14H29N3O2 — CID 71847658

IUPAC2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide
SMILESCCC(C(=O)NCCN1CCC(OC)CC1)N(C)C
InChIInChI=1S/C14H29N3O2/c1-5-13(16(2)3)14(18)15-8-11-17-9-6-12(19-4)7-10-17/h12-13H,5-11H2,1-4H3,(H,15,18)
InChIKeyBGMNUVSLHVNYJG-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.55
Rot. Bonds7

About 2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide

2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide (PubChem CID 71847658) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide
PubChem CID71847658
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide
SMILESCCC(C(=O)NCCN1CCC(OC)CC1)N(C)C
InChIInChI=1S/C14H29N3O2/c1-5-13(16(2)3)14(18)15-8-11-17-9-6-12(19-4)7-10-17/h12-13H,5-11H2,1-4H3,(H,15,18)
InChIKeyBGMNUVSLHVNYJG-UHFFFAOYSA-N
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide (CID 71847658) is 2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide is CCC(C(=O)NCCN1CCC(OC)CC1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide?
The InChIKey is BGMNUVSLHVNYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-13(16(2)3)14(18)15-8-11-17-9-6-12(19-4)7-10-17/h12-13H,5-11H2,1-4H3,(H,15,18).
What are the key properties of 2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide?
2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide has a molecular weight of 271.40 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-(4-methoxypiperidin-1-yl)ethyl]butanamide is sourced from PubChem (CID 71847658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).