N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide

C16H24N4O2 — CID 68558978

IUPACN-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H24N4O2/c21-13-6-4-12(5-7-13)19-16(22)14-10-15(18-11-17-14)20-8-2-1-3-9-20/h10-13,21H,1-9H2,(H,19,22)
InChIKeyFBQOQTGYDZWXTN-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.50
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide

N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 68558978) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID68558978
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H24N4O2/c21-13-6-4-12(5-7-13)19-16(22)14-10-15(18-11-17-14)20-8-2-1-3-9-20/h10-13,21H,1-9H2,(H,19,22)
InChIKeyFBQOQTGYDZWXTN-UHFFFAOYSA-N
XLogP1.50
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide (CID 68558978) is N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide is O=C(NC1CCC(O)CC1)c1cc(N2CCCCC2)ncn1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is FBQOQTGYDZWXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-13-6-4-12(5-7-13)19-16(22)14-10-15(18-11-17-14)20-8-2-1-3-9-20/h10-13,21H,1-9H2,(H,19,22).
What are the key properties of N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 68558978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).