3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride

C10H14Cl2N2O2S — CID 154907992

IUPAC3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CCNC[C@H]1O)c1sccc1Cl
InChIInChI=1S/C10H13ClN2O2S.ClH/c11-6-2-4-16-9(6)10(15)13-7-1-3-12-5-8(7)14;/h2,4,7-8,12,14H,1,3,5H2,(H,13,15);1H/t7-,8-;/m1./s1
InChIKeyCFVPTBFOKYLTQK-SCLLHFNJSA-N
MW297.21 g/mol
LogP1.28
Rot. Bonds2

About 3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride

3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 154907992) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID154907992
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CCNC[C@H]1O)c1sccc1Cl
InChIInChI=1S/C10H13ClN2O2S.ClH/c11-6-2-4-16-9(6)10(15)13-7-1-3-12-5-8(7)14;/h2,4,7-8,12,14H,1,3,5H2,(H,13,15);1H/t7-,8-;/m1./s1
InChIKeyCFVPTBFOKYLTQK-SCLLHFNJSA-N
XLogP1.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
CID 122571729
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 106366820
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 80644088
2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride
CID 154896397
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120556996
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide
CID 122565327
3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120553430

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride (CID 154907992) is 3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(N[C@@H]1CCNC[C@H]1O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is CFVPTBFOKYLTQK-SCLLHFNJSA-N. The full InChI is InChI=1S/C10H13ClN2O2S.ClH/c11-6-2-4-16-9(6)10(15)13-7-1-3-12-5-8(7)14;/h2,4,7-8,12,14H,1,3,5H2,(H,13,15);1H/t7-,8-;/m1./s1.
What are the key properties of 3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride?
3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 297.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 154907992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).