formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C21H34N4O5 — CID 154914655

IUPACformic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCC(N3CCN(CCO)CC3)CC2)c(=O)[nH]1.O=CO
InChIInChI=1S/C20H32N4O3.CH2O2/c1-15(2)18-4-3-17(19(26)21-18)20(27)24-7-5-16(6-8-24)23-11-9-22(10-12-23)13-14-25;2-1-3/h3-4,15-16,25H,5-14H2,1-2H3,(H,21,26);1H,(H,2,3)
InChIKeyZNTBAWRUSFEEIW-UHFFFAOYSA-N
MW422.53 g/mol
LogP0.41
Rot. Bonds5

About formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 154914655) has the molecular formula C21H34N4O5 and a molecular weight of 422.53 g/mol. Its IUPAC name is formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Nameformic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID154914655
Molecular FormulaC21H34N4O5
Molecular Weight422.53 g/mol
Exact Mass422.25
IUPAC Nameformic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCC(N3CCN(CCO)CC3)CC2)c(=O)[nH]1.O=CO
InChIInChI=1S/C20H32N4O3.CH2O2/c1-15(2)18-4-3-17(19(26)21-18)20(27)24-7-5-16(6-8-24)23-11-9-22(10-12-23)13-14-25;2-1-3/h3-4,15-16,25H,5-14H2,1-2H3,(H,21,26);1H,(H,2,3)
InChIKeyZNTBAWRUSFEEIW-UHFFFAOYSA-N
XLogP0.41
TPSA117.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

3-{[4-(hydroxymethyl)-1,3'-bipiperidin-1'-yl]carbonyl}-6-isopropyl-2(1H)-pyridinone
CID 56905930
3-[(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 95719815
3-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 95719816
3-({4-[4-(2-Hydroxyethyl)piperazin-1-yl]piperidin-1-yl}carbonyl)-6-isopropylpyridin-2-ol formate
CID 132412114
formic acid;2-methyl-5-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-4-one
CID 154915328

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 154914655) is formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(C(=O)N2CCC(N3CCN(CCO)CC3)CC2)c(=O)[nH]1.O=CO.
What is the InChIKey of formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is ZNTBAWRUSFEEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3.CH2O2/c1-15(2)18-4-3-17(19(26)21-18)20(27)24-7-5-16(6-8-24)23-11-9-22(10-12-23)13-14-25;2-1-3/h3-4,15-16,25H,5-14H2,1-2H3,(H,21,26);1H,(H,2,3).
What are the key properties of formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 422.53 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 154914655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).