3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide

C13H24N2O2S — CID 80584736

IUPAC3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide
SMILESO=C(CCOC1CCNCC1)NCC1CCCS1
InChIInChI=1S/C13H24N2O2S/c16-13(15-10-12-2-1-9-18-12)5-8-17-11-3-6-14-7-4-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyMSRIDFFVVTWCIH-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.16
Rot. Bonds6

About 3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide

3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide (PubChem CID 80584736) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide
PubChem CID80584736
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide
SMILESO=C(CCOC1CCNCC1)NCC1CCCS1
InChIInChI=1S/C13H24N2O2S/c16-13(15-10-12-2-1-9-18-12)5-8-17-11-3-6-14-7-4-11/h11-12,14H,1-10H2,(H,15,16)
InChIKeyMSRIDFFVVTWCIH-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]-3-piperidin-4-yloxypropanamide
CID 66007009
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-yloxypropanamide
CID 63904900
N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 81039234
N-[(3-hydroxycyclopentyl)methyl]-3-piperidin-4-yloxypropanamide
CID 106133903
N-(2-amino-2-oxoethyl)-3-piperidin-4-yloxypropanamide
CID 63875429
3-piperidin-4-yloxy-N-prop-2-enylpropanamide
CID 63875272
N-[2-(dimethylamino)-2-oxoethyl]-3-piperidin-4-yloxypropanamide
CID 63874940
2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide
CID 63904487
N-(2,3-dimethylbutyl)-3-piperidin-4-yloxypropanamide
CID 64599298
3-piperidin-4-yloxy-N-(thiophen-3-ylmethyl)propanamide
CID 63905466
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 63876316
4-oxo-4-(thian-2-ylmethylamino)butanoic acid
CID 80596063

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide?
The IUPAC name of 3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide (CID 80584736) is 3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide is O=C(CCOC1CCNCC1)NCC1CCCS1.
What is the InChIKey of 3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide?
The InChIKey is MSRIDFFVVTWCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-13(15-10-12-2-1-9-18-12)5-8-17-11-3-6-14-7-4-11/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of 3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide?
3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide has a molecular weight of 272.41 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide is sourced from PubChem (CID 80584736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).