5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide

C18H22N2O2S — CID 124725495

IUPAC5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CN2CCC([C@@H](O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O2S/c19-18(22)15-10-16(23-12-15)11-20-8-6-14(7-9-20)17(21)13-4-2-1-3-5-13/h1-5,10,12,14,17,21H,6-9,11H2,(H2,19,22)/t17-/m0/s1
InChIKeyBFMUDGNQROMUSB-KRWDZBQOSA-N
MW330.45 g/mol
LogP2.79
Rot. Bonds5

About 5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide

5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide (PubChem CID 124725495) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide
PubChem CID124725495
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CN2CCC([C@@H](O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O2S/c19-18(22)15-10-16(23-12-15)11-20-8-6-14(7-9-20)17(21)13-4-2-1-3-5-13/h1-5,10,12,14,17,21H,6-9,11H2,(H2,19,22)/t17-/m0/s1
InChIKeyBFMUDGNQROMUSB-KRWDZBQOSA-N
XLogP2.79
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methyl-4-phenylpiperidin-1-yl)methyl]thiophene-3-carboxamide
CID 136519631
3-[[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 122028578
5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]thiophene-3-carboxamide
CID 120770280
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
5-(1,4-thiazepan-4-ylmethyl)thiophene-3-carboxamide
CID 75500670
[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol
CID 111432875
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
(S)-phenyl-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 36669511
[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol
CID 110913167
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 139008684
phenyl-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 110883986

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide (CID 124725495) is 5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CN2CCC([C@@H](O)c3ccccc3)CC2)c1.
What is the InChIKey of 5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide?
The InChIKey is BFMUDGNQROMUSB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c19-18(22)15-10-16(23-12-15)11-20-8-6-14(7-9-20)17(21)13-4-2-1-3-5-13/h1-5,10,12,14,17,21H,6-9,11H2,(H2,19,22)/t17-/m0/s1.
What are the key properties of 5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide?
5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 124725495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).