2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C14H21N3O2 — CID 136772453

IUPAC2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-9(18)10-4-6-17(7-5-10)12-8-13(19)16-14(15-12)11-2-3-11/h8-11,18H,2-7H2,1H3,(H,15,16,19)
InChIKeyPVVFEBGEJFNTAO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.24
Rot. Bonds3

About 2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136772453) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136772453
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-9(18)10-4-6-17(7-5-10)12-8-13(19)16-14(15-12)11-2-3-11/h8-11,18H,2-7H2,1H3,(H,15,16,19)
InChIKeyPVVFEBGEJFNTAO-UHFFFAOYSA-N
XLogP1.24
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136569055
2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702377
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702379
2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702382
4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702385
2-cyclopropyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703823
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
2-ethyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703839
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
4-(3-hydroxy-4-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136749163
2-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749164
4-(3-hydroxy-4-methylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136749165

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136772453) is 2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is CC(O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is PVVFEBGEJFNTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(18)10-4-6-17(7-5-10)12-8-13(19)16-14(15-12)11-2-3-11/h8-11,18H,2-7H2,1H3,(H,15,16,19).
What are the key properties of 2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(1-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136772453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).