2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide

C14H29N3O2 — CID 83995449

IUPAC2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCC(C)(C)CNC1CC(CCO)CN(CC(N)=O)C1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)10-16-12-6-11(4-5-18)7-17(8-12)9-13(15)19/h11-12,16,18H,4-10H2,1-3H3,(H2,15,19)
InChIKeySJJDZFKKGXNSPN-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.18
Rot. Bonds6

About 2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide

2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide (PubChem CID 83995449) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
PubChem CID83995449
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESCC(C)(C)CNC1CC(CCO)CN(CC(N)=O)C1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)10-16-12-6-11(4-5-18)7-17(8-12)9-13(15)19/h11-12,16,18H,4-10H2,1-3H3,(H2,15,19)
InChIKeySJJDZFKKGXNSPN-UHFFFAOYSA-N
XLogP0.18
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
CID 83995471
1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340
3-[1-(cyclobutylmethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995351
2-[3-(cyclopentylmethylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetamide
CID 83998219
2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid
CID 83990025
3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
2-[3-(2,2-difluoroethylamino)-5-propylpiperidin-1-yl]acetamide
CID 83993367
2-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]acetamide
CID 83991982
2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83995129
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544828

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide (CID 83995449) is 2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide is CC(C)(C)CNC1CC(CCO)CN(CC(N)=O)C1.
What is the InChIKey of 2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The InChIKey is SJJDZFKKGXNSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,3)10-16-12-6-11(4-5-18)7-17(8-12)9-13(15)19/h11-12,16,18H,4-10H2,1-3H3,(H2,15,19).
What are the key properties of 2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide?
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide has a molecular weight of 271.40 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 83995449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).