benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate

C21H24N4O3 — CID 68565475

IUPACbenzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(N2CC(c3ccncc3)NC2=O)CC1
InChIInChI=1S/C21H24N4O3/c26-20-23-19(17-6-10-22-11-7-17)14-25(20)18-8-12-24(13-9-18)21(27)28-15-16-4-2-1-3-5-16/h1-7,10-11,18-19H,8-9,12-15H2,(H,23,26)
InChIKeyVPBCPNIRZFSBMU-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.95
Rot. Bonds4

About benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate

benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate (PubChem CID 68565475) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate
PubChem CID68565475
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Namebenzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(N2CC(c3ccncc3)NC2=O)CC1
InChIInChI=1S/C21H24N4O3/c26-20-23-19(17-6-10-22-11-7-17)14-25(20)18-8-12-24(13-9-18)21(27)28-15-16-4-2-1-3-5-16/h1-7,10-11,18-19H,8-9,12-15H2,(H,23,26)
InChIKeyVPBCPNIRZFSBMU-UHFFFAOYSA-N
XLogP2.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
CID 134957623
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110798888
benzyl 4-(3-benzyl-5-oxo-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 136814405
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate (CID 68565475) is benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(N2CC(c3ccncc3)NC2=O)CC1.
What is the InChIKey of benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is VPBCPNIRZFSBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20-23-19(17-6-10-22-11-7-17)14-25(20)18-8-12-24(13-9-18)21(27)28-15-16-4-2-1-3-5-16/h1-7,10-11,18-19H,8-9,12-15H2,(H,23,26).
What are the key properties of benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate?
benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 380.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68565475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).