[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

C21H26N2O2S — CID 70757931

IUPAC[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(C4CCCN4)s3)CC2)cc1
InChIInChI=1S/C21H26N2O2S/c1-15-4-6-16(7-5-15)25-17-10-13-23(14-11-17)21(24)20-9-8-19(26-20)18-3-2-12-22-18/h4-9,17-18,22H,2-3,10-14H2,1H3
InChIKeyVBOYSWIXGSVNHZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.16
Rot. Bonds4

About [4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone (PubChem CID 70757931) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is [4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
PubChem CID70757931
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(C4CCCN4)s3)CC2)cc1
InChIInChI=1S/C21H26N2O2S/c1-15-4-6-16(7-5-15)25-17-10-13-23(14-11-17)21(24)20-9-8-19(26-20)18-3-2-12-22-18/h4-9,17-18,22H,2-3,10-14H2,1H3
InChIKeyVBOYSWIXGSVNHZ-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 45223177
(4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 70713179
[4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 45204442
methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
CID 130001149
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120622997
(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 45179140
[5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72842150
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70770204
[4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone
CID 138050980

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone (CID 70757931) is [4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for [4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone is Cc1ccc(OC2CCN(C(=O)c3ccc(C4CCCN4)s3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The InChIKey is VBOYSWIXGSVNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15-4-6-16(7-5-15)25-17-10-13-23(14-11-17)21(24)20-9-8-19(26-20)18-3-2-12-22-18/h4-9,17-18,22H,2-3,10-14H2,1H3.
What are the key properties of [4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone has a molecular weight of 370.52 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 70757931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).