[3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate

C24H31N5O3S — CID 69132133

IUPAC[3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
SMILESCCCc1cc(N2CCC(NC[C@H](O)c3ccccc3)CC2)nc2sc(OC(N)=O)c(N)c12
InChIInChI=1S/C24H31N5O3S/c1-2-6-16-13-19(28-22-20(16)21(25)23(33-22)32-24(26)31)29-11-9-17(10-12-29)27-14-18(30)15-7-4-3-5-8-15/h3-5,7-8,13,17-18,27,30H,2,6,9-12,14,25H2,1H3,(H2,26,31)/t18-/m0/s1
InChIKeyGHHYTIBHFUXQLJ-SFHVURJKSA-N
MW469.61 g/mol
LogP3.58
Rot. Bonds8

About [3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate

[3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 69132133) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is [3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID69132133
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name[3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
SMILESCCCc1cc(N2CCC(NC[C@H](O)c3ccccc3)CC2)nc2sc(OC(N)=O)c(N)c12
InChIInChI=1S/C24H31N5O3S/c1-2-6-16-13-19(28-22-20(16)21(25)23(33-22)32-24(26)31)29-11-9-17(10-12-29)27-14-18(30)15-7-4-3-5-8-15/h3-5,7-8,13,17-18,27,30H,2,6,9-12,14,25H2,1H3,(H2,26,31)/t18-/m0/s1
InChIKeyGHHYTIBHFUXQLJ-SFHVURJKSA-N
XLogP3.58
TPSA126.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate (CID 69132133) is [3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate is CCCc1cc(N2CCC(NC[C@H](O)c3ccccc3)CC2)nc2sc(OC(N)=O)c(N)c12.
What is the InChIKey of [3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is GHHYTIBHFUXQLJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-2-6-16-13-19(28-22-20(16)21(25)23(33-22)32-24(26)31)29-11-9-17(10-12-29)27-14-18(30)15-7-4-3-5-8-15/h3-5,7-8,13,17-18,27,30H,2,6,9-12,14,25H2,1H3,(H2,26,31)/t18-/m0/s1.
What are the key properties of [3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
[3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 469.61 g/mol, XLogP of 3.58, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-[4-[[(2R)-2-hydroxy-2-phenylethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 69132133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).