(3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide

C16H28N2O2 — CID 98285210

IUPAC(3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCC[C@H](O)C1)C2
InChIInChI=1S/C16H28N2O2/c1-15(2)11-6-7-16(15,3)13(9-11)17-14(20)18-8-4-5-12(19)10-18/h11-13,19H,4-10H2,1-3H3,(H,17,20)/t11-,12-,13+,16-/m0/s1
InChIKeyJRBIHHJBMQOCCQ-JFILPPLUSA-N
MW280.41 g/mol
LogP2.37
Rot. Bonds1

About (3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide

(3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide (PubChem CID 98285210) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide
PubChem CID98285210
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCC[C@H](O)C1)C2
InChIInChI=1S/C16H28N2O2/c1-15(2)11-6-7-16(15,3)13(9-11)17-14(20)18-8-4-5-12(19)10-18/h11-13,19H,4-10H2,1-3H3,(H,17,20)/t11-,12-,13+,16-/m0/s1
InChIKeyJRBIHHJBMQOCCQ-JFILPPLUSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide (CID 98285210) is (3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide is CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCC[C@H](O)C1)C2.
What is the InChIKey of (3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide?
The InChIKey is JRBIHHJBMQOCCQ-JFILPPLUSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-15(2)11-6-7-16(15,3)13(9-11)17-14(20)18-8-4-5-12(19)10-18/h11-13,19H,4-10H2,1-3H3,(H,17,20)/t11-,12-,13+,16-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide?
(3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide is sourced from PubChem (CID 98285210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).