2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide

C24H37N3O — CID 44591875

IUPAC2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccc(CC(N)=O)cc3)CC1)C2
InChIInChI=1S/C24H37N3O/c1-23(2)19-8-11-24(23,3)21(15-19)26-20-9-12-27(13-10-20)16-18-6-4-17(5-7-18)14-22(25)28/h4-7,19-21,26H,8-16H2,1-3H3,(H2,25,28)/t19-,21-,24+/m1/s1
InChIKeyHGXNDHMWZLFGTN-ZYKOEDHHSA-N
MW383.58 g/mol
LogP3.48
Rot. Bonds6

About 2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide

2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 44591875) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID44591875
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC Name2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccc(CC(N)=O)cc3)CC1)C2
InChIInChI=1S/C24H37N3O/c1-23(2)19-8-11-24(23,3)21(15-19)26-20-9-12-27(13-10-20)16-18-6-4-17(5-7-18)14-22(25)28/h4-7,19-21,26H,8-16H2,1-3H3,(H2,25,28)/t19-,21-,24+/m1/s1
InChIKeyHGXNDHMWZLFGTN-ZYKOEDHHSA-N
XLogP3.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of 2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide (CID 44591875) is 2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccc(CC(N)=O)cc3)CC1)C2.
What is the InChIKey of 2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is HGXNDHMWZLFGTN-ZYKOEDHHSA-N. The full InChI is InChI=1S/C24H37N3O/c1-23(2)19-8-11-24(23,3)21(15-19)26-20-9-12-27(13-10-20)16-18-6-4-17(5-7-18)14-22(25)28/h4-7,19-21,26H,8-16H2,1-3H3,(H2,25,28)/t19-,21-,24+/m1/s1.
What are the key properties of 2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide?
2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 383.58 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 44591875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).