N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide

C18H30N2O2S — CID 111860618

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(O)CN2CCC(C)CC2)s1
InChIInChI=1S/C18H30N2O2S/c1-14-8-10-20(11-9-14)13-16(21)12-19-18(22)5-3-4-17-7-6-15(2)23-17/h6-7,14,16,21H,3-5,8-13H2,1-2H3,(H,19,22)
InChIKeyOCUQHPUSPLHMLA-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.59
Rot. Bonds8

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide (PubChem CID 111860618) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide
PubChem CID111860618
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(O)CN2CCC(C)CC2)s1
InChIInChI=1S/C18H30N2O2S/c1-14-8-10-20(11-9-14)13-16(21)12-19-18(22)5-3-4-17-7-6-15(2)23-17/h6-7,14,16,21H,3-5,8-13H2,1-2H3,(H,19,22)
InChIKeyOCUQHPUSPLHMLA-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(5-methylthiophen-2-yl)acetamide
CID 111422497
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide
CID 111112699
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 111422512
4-(5-methylthiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514194
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111422396
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 56785065
5-[[4-(5-methylthiophen-2-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110444
4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide
CID 113492709

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide (CID 111860618) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide is Cc1ccc(CCCC(=O)NCC(O)CN2CCC(C)CC2)s1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide?
The InChIKey is OCUQHPUSPLHMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-14-8-10-20(11-9-14)13-16(21)12-19-18(22)5-3-4-17-7-6-15(2)23-17/h6-7,14,16,21H,3-5,8-13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide has a molecular weight of 338.52 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylthiophen-2-yl)butanamide is sourced from PubChem (CID 111860618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).