2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide

C16H30N2O4S — CID 119047962

IUPAC2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide
SMILESCOC1(CC(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)CCC1
InChIInChI=1S/C16H30N2O4S/c1-13(2)12-23(20,21)18-9-5-14(6-10-18)17-15(19)11-16(22-3)7-4-8-16/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyJZPIJDQIDJCILX-UHFFFAOYSA-N
MW346.49 g/mol
LogP1.51
Rot. Bonds7

About 2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide

2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide (PubChem CID 119047962) has the molecular formula C16H30N2O4S and a molecular weight of 346.49 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide
PubChem CID119047962
Molecular FormulaC16H30N2O4S
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC Name2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide
SMILESCOC1(CC(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)CCC1
InChIInChI=1S/C16H30N2O4S/c1-13(2)12-23(20,21)18-9-5-14(6-10-18)17-15(19)11-16(22-3)7-4-8-16/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyJZPIJDQIDJCILX-UHFFFAOYSA-N
XLogP1.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
CID 120874179
2-(1-methoxycyclobutyl)-N-pyrrolidin-3-ylacetamide
CID 103555829
2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
CID 154751979
N-(3-hydroxycyclobutyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557188
3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103555615
methyl 2-[(3S)-1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]sulfanylacetate
CID 99873589
2-(1-methoxycyclobutyl)-N-(2-methylpropoxy)acetamide
CID 103525817
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108559964
2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103555673
N-(1-ethylsulfonylpiperidin-4-yl)-4-(propan-2-ylamino)butanamide
CID 61275650
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 75537886

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide (CID 119047962) is 2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide is COC1(CC(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide?
The InChIKey is JZPIJDQIDJCILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4S/c1-13(2)12-23(20,21)18-9-5-14(6-10-18)17-15(19)11-16(22-3)7-4-8-16/h13-14H,4-12H2,1-3H3,(H,17,19).
What are the key properties of 2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide?
2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide has a molecular weight of 346.49 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 119047962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).