3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide

C18H26N2O3 — CID 91788231

IUPAC3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
SMILESO=C(CCOc1ccccc1)N[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C18H26N2O3/c21-18(9-12-23-15-7-3-1-4-8-15)19-16-13-22-14-17(16)20-10-5-2-6-11-20/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,19,21)/t16-,17-/m0/s1
InChIKeyKQJWJIGYZBLJAP-IRXDYDNUSA-N
MW318.42 g/mol
LogP1.83
Rot. Bonds6

About 3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide

3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide (PubChem CID 91788231) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
PubChem CID91788231
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
SMILESO=C(CCOc1ccccc1)N[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C18H26N2O3/c21-18(9-12-23-15-7-3-1-4-8-15)19-16-13-22-14-17(16)20-10-5-2-6-11-20/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,19,21)/t16-,17-/m0/s1
InChIKeyKQJWJIGYZBLJAP-IRXDYDNUSA-N
XLogP1.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide
CID 133139049
3-[4-(dimethylamino)phenyl]-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 118779926
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119070601
4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
CID 66221172
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
CID 122560557
acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 154905942
2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 133260546
3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide
CID 77095907
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide
CID 124754927
N-(2-chlorocyclopentyl)-3-phenoxypropanamide
CID 114189389
N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 133266900
2-(2-methyl-1H-indol-3-yl)-N-(4-piperidin-1-yloxolan-3-yl)acetamide
CID 171359124

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
The IUPAC name of 3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide (CID 91788231) is 3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
The canonical SMILES for 3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide is O=C(CCOc1ccccc1)N[C@H]1COC[C@@H]1N1CCCCC1.
What is the InChIKey of 3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
The InChIKey is KQJWJIGYZBLJAP-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-18(9-12-23-15-7-3-1-4-8-15)19-16-13-22-14-17(16)20-10-5-2-6-11-20/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,19,21)/t16-,17-/m0/s1.
What are the key properties of 3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide?
3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide is sourced from PubChem (CID 91788231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).