N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide

C19H28N2O3 — CID 95636078

IUPACN-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCOC[C@@H]2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O3/c22-19(16-5-2-1-3-6-16)20-17-8-10-21(11-9-17)12-14-23-15-18-7-4-13-24-18/h1-3,5-6,17-18H,4,7-15H2,(H,20,22)/t18-/m0/s1
InChIKeyJCQLBIFTVGKLRV-SFHVURJKSA-N
MW332.44 g/mol
LogP2.08
Rot. Bonds7

About N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide

N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide (PubChem CID 95636078) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide
PubChem CID95636078
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCOC[C@@H]2CCCO2)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O3/c22-19(16-5-2-1-3-6-16)20-17-8-10-21(11-9-17)12-14-23-15-18-7-4-13-24-18/h1-3,5-6,17-18H,4,7-15H2,(H,20,22)/t18-/m0/s1
InChIKeyJCQLBIFTVGKLRV-SFHVURJKSA-N
XLogP2.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]benzamide
CID 42928020
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
N-(1-benzylpiperidin-4-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 164638299
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
CID 33104635
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
3-(oxolan-2-ylmethoxy)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 60611279
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111548891
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
N-[1-(4-amino-4-oxobutyl)piperidin-4-yl]benzamide;methyl 4-(4-benzamidopiperidin-1-yl)butanoate
CID 21434692

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide (CID 95636078) is N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CCOC[C@@H]2CCCO2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide?
The InChIKey is JCQLBIFTVGKLRV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-19(16-5-2-1-3-6-16)20-17-8-10-21(11-9-17)12-14-23-15-18-7-4-13-24-18/h1-3,5-6,17-18H,4,7-15H2,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide?
N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide has a molecular weight of 332.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 95636078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).