3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol

C20H23N3OS — CID 175689875

IUPAC3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol
SMILESOc1cccc(N(c2ccsc2)C2CCN(Cc3ccc[nH]3)CC2)c1
InChIInChI=1S/C20H23N3OS/c24-20-5-1-4-18(13-20)23(19-8-12-25-15-19)17-6-10-22(11-7-17)14-16-3-2-9-21-16/h1-5,8-9,12-13,15,17,21,24H,6-7,10-11,14H2
InChIKeyHTEPZFLGEBPSQS-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.58
Rot. Bonds5

About 3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol

3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol (PubChem CID 175689875) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol.

Molecular Properties

Compound Name3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol
PubChem CID175689875
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol
SMILESOc1cccc(N(c2ccsc2)C2CCN(Cc3ccc[nH]3)CC2)c1
InChIInChI=1S/C20H23N3OS/c24-20-5-1-4-18(13-20)23(19-8-12-25-15-19)17-6-10-22(11-7-17)14-16-3-2-9-21-16/h1-5,8-9,12-13,15,17,21,24H,6-7,10-11,14H2
InChIKeyHTEPZFLGEBPSQS-UHFFFAOYSA-N
XLogP4.58
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol
CID 175690004
CID 59694806
CID 59694806
4-(N-[1-(2,3-dihydro-1H-imidazol-4-ylmethyl)piperidin-4-yl]-3-hydroxyanilino)-N,N-diethylbenzamide
CID 142071760
3-[4-[di(propan-2-yl)carbamoyl]-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]anilino]benzamide
CID 10279578
3-[di(cyclobutyl)amino]phenol
CID 175178677
2-[(3-cyclopropylazetidin-1-yl)methyl]-1H-pyrrole
CID 131084634
3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol
CID 175689964
N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide
CID 45486062
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
3-[4-[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-2-pyridinyl]phenol
CID 95127637
3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine
CID 139266830
2-[4-(1H-pyrrol-2-ylmethyl)piperidin-1-yl]ethanamine
CID 116926592

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol?
The IUPAC name of 3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol (CID 175689875) is 3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol.
What is the SMILES notation for 3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol?
The canonical SMILES for 3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol is Oc1cccc(N(c2ccsc2)C2CCN(Cc3ccc[nH]3)CC2)c1.
What is the InChIKey of 3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol?
The InChIKey is HTEPZFLGEBPSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c24-20-5-1-4-18(13-20)23(19-8-12-25-15-19)17-6-10-22(11-7-17)14-16-3-2-9-21-16/h1-5,8-9,12-13,15,17,21,24H,6-7,10-11,14H2.
What are the key properties of 3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol?
3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol has a molecular weight of 353.49 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol is sourced from PubChem (CID 175689875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).