3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide

C11H15ClN2O2S — CID 125444851

IUPAC3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@]1(O)CCCNC1)c1sccc1Cl
InChIInChI=1S/C11H15ClN2O2S/c12-8-2-5-17-9(8)10(15)14-7-11(16)3-1-4-13-6-11/h2,5,13,16H,1,3-4,6-7H2,(H,14,15)/t11-/m1/s1
InChIKeyMXTIWCIKGKDWOA-LLVKDONJSA-N
MW274.77 g/mol
LogP1.25
Rot. Bonds3

About 3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide

3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 125444851) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID125444851
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@]1(O)CCCNC1)c1sccc1Cl
InChIInChI=1S/C11H15ClN2O2S/c12-8-2-5-17-9(8)10(15)14-7-11(16)3-1-4-13-6-11/h2,5,13,16H,1,3-4,6-7H2,(H,14,15)/t11-/m1/s1
InChIKeyMXTIWCIKGKDWOA-LLVKDONJSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 80642461
3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 129486594
1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea
CID 126434205
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 77088762
2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
CID 99991938
3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
CID 122571729
2-[(dimethylamino)methyl]-N-[(3-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 56893628
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide
CID 115364037
(3-chlorothiophen-2-yl)-(1-hydroxycycloheptyl)methanone
CID 107359487
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 125448120

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide (CID 125444851) is 3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@@]1(O)CCCNC1)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is MXTIWCIKGKDWOA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-8-2-5-17-9(8)10(15)14-7-11(16)3-1-4-13-6-11/h2,5,13,16H,1,3-4,6-7H2,(H,14,15)/t11-/m1/s1.
What are the key properties of 3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide?
3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 274.77 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 125444851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).