3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide

C18H29N5O — CID 56898613

IUPAC3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(Cc2cnc(N3CCCCC3)nc2)C1
InChIInChI=1S/C18H29N5O/c19-17(24)7-6-15-5-4-8-22(13-15)14-16-11-20-18(21-12-16)23-9-2-1-3-10-23/h11-12,15H,1-10,13-14H2,(H2,19,24)
InChIKeyQKUYXWKNPUKNRM-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.94
Rot. Bonds6

About 3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide

3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 56898613) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
PubChem CID56898613
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(Cc2cnc(N3CCCCC3)nc2)C1
InChIInChI=1S/C18H29N5O/c19-17(24)7-6-15-5-4-8-22(13-15)14-16-11-20-18(21-12-16)23-9-2-1-3-10-23/h11-12,15H,1-10,13-14H2,(H2,19,24)
InChIKeyQKUYXWKNPUKNRM-UHFFFAOYSA-N
XLogP1.94
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide (CID 56898613) is 3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide is NC(=O)CCC1CCCN(Cc2cnc(N3CCCCC3)nc2)C1.
What is the InChIKey of 3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is QKUYXWKNPUKNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c19-17(24)7-6-15-5-4-8-22(13-15)14-16-11-20-18(21-12-16)23-9-2-1-3-10-23/h11-12,15H,1-10,13-14H2,(H2,19,24).
What are the key properties of 3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide?
3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 331.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 56898613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).