(2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide

C18H28N2O2 — CID 95255810

IUPAC(2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide
SMILESCCCC[C@@H](C(N)=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-2-3-9-17(18(19)21)20-12-10-16(11-13-20)22-14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14H2,1H3,(H2,19,21)/t17-/m0/s1
InChIKeyJTYHGNFCKPWNNL-KRWDZBQOSA-N
MW304.43 g/mol
LogP2.71
Rot. Bonds8

About (2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide

(2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide (PubChem CID 95255810) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide
PubChem CID95255810
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide
SMILESCCCC[C@@H](C(N)=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-2-3-9-17(18(19)21)20-12-10-16(11-13-20)22-14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14H2,1H3,(H2,19,21)/t17-/m0/s1
InChIKeyJTYHGNFCKPWNNL-KRWDZBQOSA-N
XLogP2.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide?
The IUPAC name of (2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide (CID 95255810) is (2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide.
What is the SMILES notation for (2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide?
The canonical SMILES for (2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide is CCCC[C@@H](C(N)=O)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide?
The InChIKey is JTYHGNFCKPWNNL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-3-9-17(18(19)21)20-12-10-16(11-13-20)22-14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14H2,1H3,(H2,19,21)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide?
(2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide has a molecular weight of 304.43 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-phenylmethoxypiperidin-1-yl)hexanamide is sourced from PubChem (CID 95255810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).