N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide

C15H30N2O2 — CID 114681350

IUPACN-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
SMILESCCCCCC(C)NC(=O)CN1CCC(O)C(C)C1
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-13(3)16-15(19)11-17-9-8-14(18)12(2)10-17/h12-14,18H,4-11H2,1-3H3,(H,16,19)
InChIKeyNUJJUDMYAKQZTO-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.77
Rot. Bonds7

About N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide

N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide (PubChem CID 114681350) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
PubChem CID114681350
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
SMILESCCCCCC(C)NC(=O)CN1CCC(O)C(C)C1
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-13(3)16-15(19)11-17-9-8-14(18)12(2)10-17/h12-14,18H,4-11H2,1-3H3,(H,16,19)
InChIKeyNUJJUDMYAKQZTO-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptan-2-yl-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898417
1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385834
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613
N-heptan-2-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058350
N-butan-2-yl-2-(3-ethyl-4-hydroxypiperidin-1-yl)acetamide
CID 114511157
2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N-heptan-2-ylacetamide
CID 60542704
1-[2-(heptan-2-ylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072116
N-[(2R)-butan-2-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 129368574
N-cyclopropyl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114502743
N-(2-aminoethyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114678035
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide (CID 114681350) is N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide is CCCCCC(C)NC(=O)CN1CCC(O)C(C)C1.
What is the InChIKey of N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide?
The InChIKey is NUJJUDMYAKQZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-5-6-7-13(3)16-15(19)11-17-9-8-14(18)12(2)10-17/h12-14,18H,4-11H2,1-3H3,(H,16,19).
What are the key properties of N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide?
N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide has a molecular weight of 270.42 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 114681350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).