3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C20H31N3O3 — CID 95719816

IUPAC3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCC[C@@H](N3CCC(CO)CC3)C2)c(=O)[nH]1
InChIInChI=1S/C20H31N3O3/c1-14(2)18-6-5-17(19(25)21-18)20(26)23-9-3-4-16(12-23)22-10-7-15(13-24)8-11-22/h5-6,14-16,24H,3-4,7-13H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyTYAGPJQOKZJOPS-MRXNPFEDSA-N
MW361.49 g/mol
LogP1.81
Rot. Bonds4

About 3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 95719816) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID95719816
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCC[C@@H](N3CCC(CO)CC3)C2)c(=O)[nH]1
InChIInChI=1S/C20H31N3O3/c1-14(2)18-6-5-17(19(25)21-18)20(26)23-9-3-4-16(12-23)22-10-7-15(13-24)8-11-22/h5-6,14-16,24H,3-4,7-13H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyTYAGPJQOKZJOPS-MRXNPFEDSA-N
XLogP1.81
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 95719816) is 3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(C(=O)N2CCC[C@@H](N3CCC(CO)CC3)C2)c(=O)[nH]1.
What is the InChIKey of 3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is TYAGPJQOKZJOPS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14(2)18-6-5-17(19(25)21-18)20(26)23-9-3-4-16(12-23)22-10-7-15(13-24)8-11-22/h5-6,14-16,24H,3-4,7-13H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of 3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 361.49 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 95719816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).