N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide

C18H33N3O2 — CID 95215756

IUPACN-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCC(C)CN1CCC[C@@H](CNC(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C18H33N3O2/c1-15(2)12-20-9-6-7-16(13-20)11-19-17(22)14-21-10-5-3-4-8-18(21)23/h15-16H,3-14H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyPMGCBZUIPITBCS-INIZCTEOSA-N
MW323.48 g/mol
LogP1.87
Rot. Bonds6

About N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide

N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 95215756) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID95215756
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCC(C)CN1CCC[C@@H](CNC(=O)CN2CCCCCC2=O)C1
InChIInChI=1S/C18H33N3O2/c1-15(2)12-20-9-6-7-16(13-20)11-19-17(22)14-21-10-5-3-4-8-18(21)23/h15-16H,3-14H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyPMGCBZUIPITBCS-INIZCTEOSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide (CID 95215756) is N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide is CC(C)CN1CCC[C@@H](CNC(=O)CN2CCCCCC2=O)C1.
What is the InChIKey of N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is PMGCBZUIPITBCS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-15(2)12-20-9-6-7-16(13-20)11-19-17(22)14-21-10-5-3-4-8-18(21)23/h15-16H,3-14H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 323.48 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 95215756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).