4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide

C16H26N2O2S — CID 110901055

IUPAC4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1CCC(CO)CC1)c1cccs1
InChIInChI=1S/C16H26N2O2S/c1-12(2)10-14(15-4-3-9-21-15)17-16(20)18-7-5-13(11-19)6-8-18/h3-4,9,12-14,19H,5-8,10-11H2,1-2H3,(H,17,20)
InChIKeyZRBPMGWRNDOFGO-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.25
Rot. Bonds5

About 4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide (PubChem CID 110901055) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
PubChem CID110901055
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1CCC(CO)CC1)c1cccs1
InChIInChI=1S/C16H26N2O2S/c1-12(2)10-14(15-4-3-9-21-15)17-16(20)18-7-5-13(11-19)6-8-18/h3-4,9,12-14,19H,5-8,10-11H2,1-2H3,(H,17,20)
InChIKeyZRBPMGWRNDOFGO-UHFFFAOYSA-N
XLogP3.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 111438385
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]pyrrolidine-1-carboxamide
CID 98203059
3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide
CID 100666900
[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol
CID 97175553
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 129431123
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
(3S)-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51966873
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
4-(2-methylpyrazol-3-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124607053
(3S)-3-[(dimethylamino)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]pyrrolidine-1-carboxamide
CID 99625620

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide (CID 110901055) is 4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide is CC(C)CC(NC(=O)N1CCC(CO)CC1)c1cccs1.
What is the InChIKey of 4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide?
The InChIKey is ZRBPMGWRNDOFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(2)10-14(15-4-3-9-21-15)17-16(20)18-7-5-13(11-19)6-8-18/h3-4,9,12-14,19H,5-8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide has a molecular weight of 310.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 110901055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).