N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide

C13H24N2O4S — CID 81039234

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide
SMILESO=C(CCOC1CCNCC1)NCC1CCCS1(=O)=O
InChIInChI=1S/C13H24N2O4S/c16-13(5-8-19-11-3-6-14-7-4-11)15-10-12-2-1-9-20(12,17)18/h11-12,14H,1-10H2,(H,15,16)
InChIKeyGQUUUIIDNUECKG-UHFFFAOYSA-N
MW304.41 g/mol
LogP-0.16
Rot. Bonds6

About N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide

N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide (PubChem CID 81039234) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide
PubChem CID81039234
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide
SMILESO=C(CCOC1CCNCC1)NCC1CCCS1(=O)=O
InChIInChI=1S/C13H24N2O4S/c16-13(5-8-19-11-3-6-14-7-4-11)15-10-12-2-1-9-20(12,17)18/h11-12,14H,1-10H2,(H,15,16)
InChIKeyGQUUUIIDNUECKG-UHFFFAOYSA-N
XLogP-0.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]-3-piperidin-4-yloxypropanamide
CID 66007009
N-[2-(dimethylamino)-2-oxoethyl]-3-piperidin-4-yloxypropanamide
CID 63874940
3-piperidin-4-yloxy-N-(thiolan-2-ylmethyl)propanamide
CID 80584736
N-[(3-hydroxycyclopentyl)methyl]-3-piperidin-4-yloxypropanamide
CID 106133903
N-(2-amino-2-oxoethyl)-3-piperidin-4-yloxypropanamide
CID 63875429
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 63876316
3-piperidin-4-yloxy-N-prop-2-enylpropanamide
CID 63875272
N-[(1,1-dioxothiolan-2-yl)methyl]-2-sulfanylacetamide
CID 81046326
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-piperidin-4-yloxypropanamide
CID 63904900
N-(2-hydroxy-4-methylpentyl)-3-piperidin-4-yloxypropanamide
CID 103920724
N-(2,3-dimethylbutyl)-3-piperidin-4-yloxypropanamide
CID 64599298
2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide
CID 63904487

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide (CID 81039234) is N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide is O=C(CCOC1CCNCC1)NCC1CCCS1(=O)=O.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide?
The InChIKey is GQUUUIIDNUECKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c16-13(5-8-19-11-3-6-14-7-4-11)15-10-12-2-1-9-20(12,17)18/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide has a molecular weight of 304.41 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-3-piperidin-4-yloxypropanamide is sourced from PubChem (CID 81039234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).