N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide

C16H26N2O2 — CID 122566890

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide
SMILESO=C(N[C@@H]1CCNC[C@H]1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c19-14-9-17-2-1-13(14)18-15(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-14,17,19H,1-9H2,(H,18,20)/t10?,11?,12?,13-,14-,16?/m1/s1
InChIKeyTZARZZKDVLKMCQ-GQWBEDRXSA-N
MW278.40 g/mol
LogP1.04
Rot. Bonds2

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide (PubChem CID 122566890) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide
PubChem CID122566890
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide
SMILESO=C(N[C@@H]1CCNC[C@H]1O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2O2/c19-14-9-17-2-1-13(14)18-15(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-14,17,19H,1-9H2,(H,18,20)/t10?,11?,12?,13-,14-,16?/m1/s1
InChIKeyTZARZZKDVLKMCQ-GQWBEDRXSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide (CID 122566890) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide is O=C(N[C@@H]1CCNC[C@H]1O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide?
The InChIKey is TZARZZKDVLKMCQ-GQWBEDRXSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-14-9-17-2-1-13(14)18-15(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-14,17,19H,1-9H2,(H,18,20)/t10?,11?,12?,13-,14-,16?/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]adamantane-1-carboxamide is sourced from PubChem (CID 122566890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).