1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide

C16H23N3O2S — CID 134001299

IUPAC1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CN(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C16H23N3O2S/c17-16(21)12-3-1-7-18(9-12)15(20)11-19(13-5-6-13)10-14-4-2-8-22-14/h2,4,8,12-13H,1,3,5-7,9-11H2,(H2,17,21)
InChIKeyTYVVHQCXKUPDIV-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.44
Rot. Bonds6

About 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide

1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide (PubChem CID 134001299) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide
PubChem CID134001299
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CN(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C16H23N3O2S/c17-16(21)12-3-1-7-18(9-12)15(20)11-19(13-5-6-13)10-14-4-2-8-22-14/h2,4,8,12-13H,1,3,5-7,9-11H2,(H2,17,21)
InChIKeyTYVVHQCXKUPDIV-UHFFFAOYSA-N
XLogP1.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide (CID 134001299) is 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CN(Cc2cccs2)C2CC2)C1.
What is the InChIKey of 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide?
The InChIKey is TYVVHQCXKUPDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c17-16(21)12-3-1-7-18(9-12)15(20)11-19(13-5-6-13)10-14-4-2-8-22-14/h2,4,8,12-13H,1,3,5-7,9-11H2,(H2,17,21).
What are the key properties of 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide?
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 134001299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).