N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide

C19H24N2O2S — CID 98854261

IUPACN-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO
InChIInChI=1S/C19H24N2O2S/c1-14-12-24-13-17(14)19(23)20-18-10-21(8-7-16(18)11-22)9-15-5-3-2-4-6-15/h2-6,12-13,16,18,22H,7-11H2,1H3,(H,20,23)/t16-,18-/m0/s1
InChIKeyOGSVWAWXVLYZAW-WMZOPIPTSA-N
MW344.48 g/mol
LogP2.67
Rot. Bonds5

About N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide

N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide (PubChem CID 98854261) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide
PubChem CID98854261
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO
InChIInChI=1S/C19H24N2O2S/c1-14-12-24-13-17(14)19(23)20-18-10-21(8-7-16(18)11-22)9-15-5-3-2-4-6-15/h2-6,12-13,16,18,22H,7-11H2,1H3,(H,20,23)/t16-,18-/m0/s1
InChIKeyOGSVWAWXVLYZAW-WMZOPIPTSA-N
XLogP2.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 124776779
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 124740057
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-chlorofuran-2-carboxamide
CID 97248022
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
CID 98775527
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide
CID 125138738
N-[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000354
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-2-carboxamide
CID 124725548
N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 98887099
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 97328592
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 129426897
[1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 71633079

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide (CID 98854261) is N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO.
What is the InChIKey of N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide?
The InChIKey is OGSVWAWXVLYZAW-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-12-24-13-17(14)19(23)20-18-10-21(8-7-16(18)11-22)9-15-5-3-2-4-6-15/h2-6,12-13,16,18,22H,7-11H2,1H3,(H,20,23)/t16-,18-/m0/s1.
What are the key properties of N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide?
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 98854261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).