2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide

C14H29N3O2 — CID 76894916

IUPAC2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide
SMILESCN1CCC(N(CCO)C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)12(15)13(19)17(9-10-18)11-5-7-16(4)8-6-11/h11-12,18H,5-10,15H2,1-4H3
InChIKeyHVGZRCXZSODACR-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.27
Rot. Bonds4

About 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide

2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 76894916) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID76894916
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide
SMILESCN1CCC(N(CCO)C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)12(15)13(19)17(9-10-18)11-5-7-16(4)8-6-11/h11-12,18H,5-10,15H2,1-4H3
InChIKeyHVGZRCXZSODACR-UHFFFAOYSA-N
XLogP0.27
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 113353384
3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 113307593
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-phenylacetamide
CID 60953001
2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 76988468
N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide
CID 79202200
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102861908
2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60952653
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60959224
2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide
CID 23595876
(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
(2S)-2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 61154056
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 54873932

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide (CID 76894916) is 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide is CN1CCC(N(CCO)C(=O)C(N)C(C)(C)C)CC1.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is HVGZRCXZSODACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,3)12(15)13(19)17(9-10-18)11-5-7-16(4)8-6-11/h11-12,18H,5-10,15H2,1-4H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide?
2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 271.40 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-3,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 76894916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).