(5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone

C14H19ClN2O2S — CID 97038821

IUPAC(5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C14H19ClN2O2S/c15-13-4-3-12(20-13)14(19)17-7-5-16(6-8-17)9-11(18)10-1-2-10/h3-4,10-11,18H,1-2,5-9H2/t11-/m0/s1
InChIKeyJNTVAPQAYQDNGZ-NSHDSACASA-N
MW314.84 g/mol
LogP1.93
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone (PubChem CID 97038821) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone
PubChem CID97038821
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name(5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C14H19ClN2O2S/c15-13-4-3-12(20-13)14(19)17-7-5-16(6-8-17)9-11(18)10-1-2-10/h3-4,10-11,18H,1-2,5-9H2/t11-/m0/s1
InChIKeyJNTVAPQAYQDNGZ-NSHDSACASA-N
XLogP1.93
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
(5-chlorothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 25236154
3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 43521993
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 31058355
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 71783046
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 151434811

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone (CID 97038821) is (5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCN(C[C@H](O)C2CC2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone?
The InChIKey is JNTVAPQAYQDNGZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c15-13-4-3-12(20-13)14(19)17-7-5-16(6-8-17)9-11(18)10-1-2-10/h3-4,10-11,18H,1-2,5-9H2/t11-/m0/s1.
What are the key properties of (5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone has a molecular weight of 314.84 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 97038821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).