N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide

C15H24N2O2S — CID 72873831

IUPACN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCC(CO)Cc2cccs2)CCNCC1
InChIInChI=1S/C15H24N2O2S/c1-15(4-6-16-7-5-15)14(19)17-10-12(11-18)9-13-3-2-8-20-13/h2-3,8,12,16,18H,4-7,9-11H2,1H3,(H,17,19)
InChIKeyBBGZQYHVODLKDW-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide

N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide (PubChem CID 72873831) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide
PubChem CID72873831
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NCC(CO)Cc2cccs2)CCNCC1
InChIInChI=1S/C15H24N2O2S/c1-15(4-6-16-7-5-15)14(19)17-10-12(11-18)9-13-3-2-8-20-13/h2-3,8,12,16,18H,4-7,9-11H2,1H3,(H,17,19)
InChIKeyBBGZQYHVODLKDW-UHFFFAOYSA-N
XLogP1.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-isopentyl-4-(thiophen-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 7217405
4-(hydroxymethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 71867984
N-isobutyl-4-(thiophen-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 7243570
N-{[4-(thiophen-2-yl)oxan-4-yl]methyl}cyclobutanecarboxamide
CID 45561655
{3-(Cyclopropylmethyl)-1-[3-(2-thienyl)propanoyl]-3-piperidinyl}methanol
CID 72888762
N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)cyclopropanecarboxamide
CID 30943567
N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)pivalamide
CID 30943573
N-(2-cyclohexyl-2-hydroxyethyl)-2-(thiophen-2-yl)acetamide
CID 71782112
2-(4-Thiophen-2-ylpiperidin-3-yl)ethanol
CID 57065411
(3R)-3-(cyclohexylmethyl)-1-[(3S)-3-[(1R)-5-methoxy-1-thiophen-2-ylpentyl]piperidin-1-yl]-4-(methylamino)butan-1-one
CID 58246717
4-(2-Amino-1-thiophen-2-ylethyl)piperidine-1,4-dicarboxylic acid
CID 91082910
N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)isobutyramide
CID 30943570

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide (CID 72873831) is N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide is CC1(C(=O)NCC(CO)Cc2cccs2)CCNCC1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is BBGZQYHVODLKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(4-6-16-7-5-15)14(19)17-10-12(11-18)9-13-3-2-8-20-13/h2-3,8,12,16,18H,4-7,9-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide?
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 72873831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).