3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide

C22H36N6O — CID 53188797

IUPAC3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide
SMILESO=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCCN1CCCCC1
InChIInChI=1S/C22H36N6O/c29-22(23-10-15-27-11-2-1-3-12-27)7-4-18-8-13-28(14-9-18)21-16-20(24-17-25-21)26-19-5-6-19/h16-19H,1-15H2,(H,23,29)(H,24,25,26)
InChIKeyQPKOMRZQHCBWKF-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.65
Rot. Bonds9

About 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 53188797) has the molecular formula C22H36N6O and a molecular weight of 400.57 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide
PubChem CID53188797
Molecular FormulaC22H36N6O
Molecular Weight400.57 g/mol
Exact Mass400.30
IUPAC Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide
SMILESO=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCCN1CCCCC1
InChIInChI=1S/C22H36N6O/c29-22(23-10-15-27-11-2-1-3-12-27)7-4-18-8-13-28(14-9-18)21-16-20(24-17-25-21)26-19-5-6-19/h16-19H,1-15H2,(H,23,29)(H,24,25,26)
InChIKeyQPKOMRZQHCBWKF-UHFFFAOYSA-N
XLogP2.65
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide (CID 53188797) is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide is O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCCN1CCCCC1.
What is the InChIKey of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide?
The InChIKey is QPKOMRZQHCBWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O/c29-22(23-10-15-27-11-2-1-3-12-27)7-4-18-8-13-28(14-9-18)21-16-20(24-17-25-21)26-19-5-6-19/h16-19H,1-15H2,(H,23,29)(H,24,25,26).
What are the key properties of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide?
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 400.57 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 53188797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).