N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

C20H33N5O — CID 53188560

IUPACN-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCNc1cc(N2CCC(CCC(=O)NC3CCCCC3)CC2)ncn1
InChIInChI=1S/C20H33N5O/c1-2-21-18-14-19(23-15-22-18)25-12-10-16(11-13-25)8-9-20(26)24-17-6-4-3-5-7-17/h14-17H,2-13H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyBRJBHRFJMOALEK-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.35
Rot. Bonds7

About N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188560) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID53188560
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCNc1cc(N2CCC(CCC(=O)NC3CCCCC3)CC2)ncn1
InChIInChI=1S/C20H33N5O/c1-2-21-18-14-19(23-15-22-18)25-12-10-16(11-13-25)8-9-20(26)24-17-6-4-3-5-7-17/h14-17H,2-13H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyBRJBHRFJMOALEK-UHFFFAOYSA-N
XLogP3.35
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188560) is N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is CCNc1cc(N2CCC(CCC(=O)NC3CCCCC3)CC2)ncn1.
What is the InChIKey of N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is BRJBHRFJMOALEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-2-21-18-14-19(23-15-22-18)25-12-10-16(11-13-25)8-9-20(26)24-17-6-4-3-5-7-17/h14-17H,2-13H2,1H3,(H,24,26)(H,21,22,23).
What are the key properties of N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 359.52 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).