N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide

C22H29N3O2S — CID 142428293

IUPACN-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide
SMILESO=C(NCC(O)CN1CCc2ccsc2C1)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C22H29N3O2S/c26-20(15-24-11-8-18-9-12-28-21(18)16-24)13-23-22(27)25-10-4-7-19(14-25)17-5-2-1-3-6-17/h1-3,5-6,9,12,19-20,26H,4,7-8,10-11,13-16H2,(H,23,27)
InChIKeyHITBJVCMKIWVNO-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.06
Rot. Bonds5

About N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide

N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide (PubChem CID 142428293) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide
PubChem CID142428293
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide
SMILESO=C(NCC(O)CN1CCc2ccsc2C1)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C22H29N3O2S/c26-20(15-24-11-8-18-9-12-28-21(18)16-24)13-23-22(27)25-10-4-7-19(14-25)17-5-2-1-3-6-17/h1-3,5-6,9,12,19-20,26H,4,7-8,10-11,13-16H2,(H,23,27)
InChIKeyHITBJVCMKIWVNO-UHFFFAOYSA-N
XLogP3.06
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide (CID 142428293) is N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide is O=C(NCC(O)CN1CCc2ccsc2C1)N1CCCC(c2ccccc2)C1.
What is the InChIKey of N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide?
The InChIKey is HITBJVCMKIWVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c26-20(15-24-11-8-18-9-12-28-21(18)16-24)13-23-22(27)25-10-4-7-19(14-25)17-5-2-1-3-6-17/h1-3,5-6,9,12,19-20,26H,4,7-8,10-11,13-16H2,(H,23,27).
What are the key properties of N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide?
N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 142428293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).