N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide

C19H30N4O2 — CID 135990316

IUPACN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)C2(N3CCCCC3)CCCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-15-14-17(24)22-16(21-15)8-11-20-18(25)19(9-4-2-5-10-19)23-12-6-3-7-13-23/h14H,2-13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyNOHHTNRLOVXDDW-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide (PubChem CID 135990316) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
PubChem CID135990316
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)C2(N3CCCCC3)CCCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-15-14-17(24)22-16(21-15)8-11-20-18(25)19(9-4-2-5-10-19)23-12-6-3-7-13-23/h14H,2-13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyNOHHTNRLOVXDDW-UHFFFAOYSA-N
XLogP1.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide (CID 135990316) is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide is Cc1cc(=O)[nH]c(CCNC(=O)C2(N3CCCCC3)CCCCC2)n1.
What is the InChIKey of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is NOHHTNRLOVXDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-14-17(24)22-16(21-15)8-11-20-18(25)19(9-4-2-5-10-19)23-12-6-3-7-13-23/h14H,2-13H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 135990316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).