3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide

C14H19N5O — CID 18008467

IUPAC3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C14H19N5O/c15-12(20)4-3-10-2-1-7-19(8-10)14-11-5-6-16-13(11)17-9-18-14/h5-6,9-10H,1-4,7-8H2,(H2,15,20)(H,16,17,18)
InChIKeyUEODOFWERYGENB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.44
Rot. Bonds4

About 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide

3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide (PubChem CID 18008467) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide
PubChem CID18008467
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C14H19N5O/c15-12(20)4-3-10-2-1-7-19(8-10)14-11-5-6-16-13(11)17-9-18-14/h5-6,9-10H,1-4,7-8H2,(H2,15,20)(H,16,17,18)
InChIKeyUEODOFWERYGENB-UHFFFAOYSA-N
XLogP1.44
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide (CID 18008467) is 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide is NC(=O)CCC1CCCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
The InChIKey is UEODOFWERYGENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-12(20)4-3-10-2-1-7-19(8-10)14-11-5-6-16-13(11)17-9-18-14/h5-6,9-10H,1-4,7-8H2,(H2,15,20)(H,16,17,18).
What are the key properties of 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 18008467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).