N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide

C14H26N2O4 — CID 164629532

IUPACN-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide
SMILESCCOC[C@@H](O)CNC(=O)C1CCN(C(=O)CC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-13(18)16-7-5-11(6-8-16)14(19)15-9-12(17)10-20-4-2/h11-12,17H,3-10H2,1-2H3,(H,15,19)/t12-/m0/s1
InChIKeyKDXVTBOAMFZWKM-LBPRGKRZSA-N
MW286.37 g/mol
LogP0.15
Rot. Bonds7

About N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide

N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide (PubChem CID 164629532) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide
PubChem CID164629532
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide
SMILESCCOC[C@@H](O)CNC(=O)C1CCN(C(=O)CC)CC1
InChIInChI=1S/C14H26N2O4/c1-3-13(18)16-7-5-11(6-8-16)14(19)15-9-12(17)10-20-4-2/h11-12,17H,3-10H2,1-2H3,(H,15,19)/t12-/m0/s1
InChIKeyKDXVTBOAMFZWKM-LBPRGKRZSA-N
XLogP0.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide (CID 164629532) is N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide is CCOC[C@@H](O)CNC(=O)C1CCN(C(=O)CC)CC1.
What is the InChIKey of N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide?
The InChIKey is KDXVTBOAMFZWKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-13(18)16-7-5-11(6-8-16)14(19)15-9-12(17)10-20-4-2/h11-12,17H,3-10H2,1-2H3,(H,15,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide?
N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-ethoxy-2-hydroxypropyl]-1-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 164629532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).