1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one

C16H22N4O2 — CID 56821767

IUPAC1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C(CCc1ccncc1)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C16H22N4O2/c21-15(4-3-13-5-7-17-8-6-13)19-10-1-2-14(12-19)20-11-9-18-16(20)22/h5-8,14H,1-4,9-12H2,(H,18,22)
InChIKeyDLUXARXPVIRXIP-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.03
Rot. Bonds4

About 1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one

1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 56821767) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
PubChem CID56821767
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C(CCc1ccncc1)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C16H22N4O2/c21-15(4-3-13-5-7-17-8-6-13)19-10-1-2-14(12-19)20-11-9-18-16(20)22/h5-8,14H,1-4,9-12H2,(H,18,22)
InChIKeyDLUXARXPVIRXIP-UHFFFAOYSA-N
XLogP1.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 95591095
1-[(3R)-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 95591002
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95303199
1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 99116117
1-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-3-yl]imidazolidin-2-one
CID 56821742
(3R)-N-benzyl-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 95047911
1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96514407
1-[(3R)-1-[(3R)-3-cyclopropylbutanoyl]piperidin-3-yl]imidazolidin-2-one
CID 94216546
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303
1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026177
methyl 2-methyl-2-[(3S)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]propanoate
CID 97061541

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one (CID 56821767) is 1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one is O=C(CCc1ccncc1)N1CCCC(N2CCNC2=O)C1.
What is the InChIKey of 1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is DLUXARXPVIRXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(4-3-13-5-7-17-8-6-13)19-10-1-2-14(12-19)20-11-9-18-16(20)22/h5-8,14H,1-4,9-12H2,(H,18,22).
What are the key properties of 1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one?
1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 56821767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).