1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile

C28H29N5O2S — CID 142581485

IUPAC1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccsc23)CC1
InChIInChI=1S/C28H29N5O2S/c29-19-28(21-4-2-1-3-5-21)9-11-31(12-10-28)24-22(18-30-23-8-17-36-25(23)24)27(35)33-15-13-32(14-16-33)26(34)20-6-7-20/h1-5,8,17-18,20H,6-7,9-16H2
InChIKeyDWGGPMABGPYZCH-UHFFFAOYSA-N
MW499.64 g/mol
LogP4.05
Rot. Bonds4

About 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile

1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 142581485) has the molecular formula C28H29N5O2S and a molecular weight of 499.64 g/mol. Its IUPAC name is 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile
PubChem CID142581485
Molecular FormulaC28H29N5O2S
Molecular Weight499.64 g/mol
Exact Mass499.20
IUPAC Name1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccsc23)CC1
InChIInChI=1S/C28H29N5O2S/c29-19-28(21-4-2-1-3-5-21)9-11-31(12-10-28)24-22(18-30-23-8-17-36-25(23)24)27(35)33-15-13-32(14-16-33)26(34)20-6-7-20/h1-5,8,17-18,20H,6-7,9-16H2
InChIKeyDWGGPMABGPYZCH-UHFFFAOYSA-N
XLogP4.05
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile (CID 142581485) is 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(c2c(C(=O)N3CCN(C(=O)C4CC4)CC3)cnc3ccsc23)CC1.
What is the InChIKey of 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is DWGGPMABGPYZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2S/c29-19-28(21-4-2-1-3-5-21)9-11-31(12-10-28)24-22(18-30-23-8-17-36-25(23)24)27(35)33-15-13-32(14-16-33)26(34)20-6-7-20/h1-5,8,17-18,20H,6-7,9-16H2.
What are the key properties of 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile?
1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 499.64 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 142581485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).