2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine

C26H27N3S — CID 141157021

IUPAC2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine
SMILESc1ccc(CCN(c2nccc3sc(-c4ccccc4)cc23)[C@H]2CCCNC2)cc1
InChIInChI=1S/C26H27N3S/c1-3-8-20(9-4-1)14-17-29(22-12-7-15-27-19-22)26-23-18-25(21-10-5-2-6-11-21)30-24(23)13-16-28-26/h1-6,8-11,13,16,18,22,27H,7,12,14-15,17,19H2/t22-/m0/s1
InChIKeyROLKOIWBVPZZDX-QFIPXVFZSA-N
MW413.59 g/mol
LogP5.76
Rot. Bonds6

About 2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine

2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine (PubChem CID 141157021) has the molecular formula C26H27N3S and a molecular weight of 413.59 g/mol. Its IUPAC name is 2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine
PubChem CID141157021
Molecular FormulaC26H27N3S
Molecular Weight413.59 g/mol
Exact Mass413.19
IUPAC Name2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine
SMILESc1ccc(CCN(c2nccc3sc(-c4ccccc4)cc23)[C@H]2CCCNC2)cc1
InChIInChI=1S/C26H27N3S/c1-3-8-20(9-4-1)14-17-29(22-12-7-15-27-19-22)26-23-18-25(21-10-5-2-6-11-21)30-24(23)13-16-28-26/h1-6,8-11,13,16,18,22,27H,7,12,14-15,17,19H2/t22-/m0/s1
InChIKeyROLKOIWBVPZZDX-QFIPXVFZSA-N
XLogP5.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.59
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine with MolForge

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Related Compounds

2-fluoro-N-[2-(3-methoxyphenyl)thieno[3,2-c]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532149
N-[2-[4-(dimethylcarbamoyl)phenyl]thieno[3,2-c]pyridin-4-yl]-2-fluoro-4-(1-methyltriazol-4-yl)-N-piperidin-3-ylbenzamide
CID 172532266
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
N-(4-phenylbutyl)-N-propylpiperidin-3-amine
CID 114334204
(3R)-N-benzyl-N-cyclopropylpiperidin-3-amine
CID 66569431
(3R)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66569420
N-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-3-amine;hydrochloride
CID 146065183
N-[2-(2-cyano-4-pyridinyl)thieno[3,2-c]pyridin-4-yl]-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 172532809
2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine
CID 175816972
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540583
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551
N-methyl-N-(quinolin-4-ylmethyl)piperidin-3-amine
CID 63868534

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine (CID 141157021) is 2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine is c1ccc(CCN(c2nccc3sc(-c4ccccc4)cc23)[C@H]2CCCNC2)cc1.
What is the InChIKey of 2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is ROLKOIWBVPZZDX-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H27N3S/c1-3-8-20(9-4-1)14-17-29(22-12-7-15-27-19-22)26-23-18-25(21-10-5-2-6-11-21)30-24(23)13-16-28-26/h1-6,8-11,13,16,18,22,27H,7,12,14-15,17,19H2/t22-/m0/s1.
What are the key properties of 2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine?
2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 413.59 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-phenylethyl)-N-[(3S)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 141157021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).