N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide

C28H37N3O2 — CID 127037396

IUPACN-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1CCCCN1Cc1ccc2c(c1)CCC[C@H]2NC(C)=O)c1ccccc1
InChIInChI=1S/C28H37N3O2/c1-3-28(33)31(24-11-5-4-6-12-24)20-25-13-7-8-17-30(25)19-22-15-16-26-23(18-22)10-9-14-27(26)29-21(2)32/h4-6,11-12,15-16,18,25,27H,3,7-10,13-14,17,19-20H2,1-2H3,(H,29,32)/t25?,27-/m1/s1
InChIKeyHSRRGOPJZKFMKY-ZCJYOONXSA-N
MW447.62 g/mol
LogP5.00
Rot. Bonds7

About N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide

N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide (PubChem CID 127037396) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide
PubChem CID127037396
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1CCCCN1Cc1ccc2c(c1)CCC[C@H]2NC(C)=O)c1ccccc1
InChIInChI=1S/C28H37N3O2/c1-3-28(33)31(24-11-5-4-6-12-24)20-25-13-7-8-17-30(25)19-22-15-16-26-23(18-22)10-9-14-27(26)29-21(2)32/h4-6,11-12,15-16,18,25,27H,3,7-10,13-14,17,19-20H2,1-2H3,(H,29,32)/t25?,27-/m1/s1
InChIKeyHSRRGOPJZKFMKY-ZCJYOONXSA-N
XLogP5.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide?
The IUPAC name of N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide (CID 127037396) is N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide?
The canonical SMILES for N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide is CCC(=O)N(CC1CCCCN1Cc1ccc2c(c1)CCC[C@H]2NC(C)=O)c1ccccc1.
What is the InChIKey of N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide?
The InChIKey is HSRRGOPJZKFMKY-ZCJYOONXSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-3-28(33)31(24-11-5-4-6-12-24)20-25-13-7-8-17-30(25)19-22-15-16-26-23(18-22)10-9-14-27(26)29-21(2)32/h4-6,11-12,15-16,18,25,27H,3,7-10,13-14,17,19-20H2,1-2H3,(H,29,32)/t25?,27-/m1/s1.
What are the key properties of N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide?
N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide has a molecular weight of 447.62 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide is sourced from PubChem (CID 127037396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).