[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone

C16H17ClN2OS — CID 60641592

IUPAC[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C16H17ClN2OS/c17-15-7-6-14(21-15)12-18-8-10-19(11-9-18)16(20)13-4-2-1-3-5-13/h1-7H,8-12H2
InChIKeyKTGIMZKGWBFLQE-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.36
Rot. Bonds3

About [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone

[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 60641592) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
PubChem CID60641592
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C16H17ClN2OS/c17-15-7-6-14(21-15)12-18-8-10-19(11-9-18)16(20)13-4-2-1-3-5-13/h1-7H,8-12H2
InChIKeyKTGIMZKGWBFLQE-UHFFFAOYSA-N
XLogP3.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-iodophenyl)methanone
CID 27841614
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 27841360
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 27841515
[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone
CID 37200999
4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]thiophene-2-sulfonamide
CID 134061909
(E)-4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-oxobut-2-enoic acid
CID 60954103
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
CID 55395560
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 37209594
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 17458243
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 62491432
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 8624033
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 56817002

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone (CID 60641592) is [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is KTGIMZKGWBFLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-15-7-6-14(21-15)12-18-8-10-19(11-9-18)16(20)13-4-2-1-3-5-13/h1-7H,8-12H2.
What are the key properties of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone?
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 320.85 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 60641592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).