tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate

C19H31N3O4 — CID 100637047

IUPACtert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1
InChIInChI=1S/C19H31N3O4/c1-18(2,3)26-17(25)21-10-7-13(8-11-21)9-12-22-15(23)19(4,14-5-6-14)20-16(22)24/h13-14H,5-12H2,1-4H3,(H,20,24)/t19-/m0/s1
InChIKeyMPASODSCSKTMKT-IBGZPJMESA-N
MW365.47 g/mol
LogP2.74
Rot. Bonds4

About tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 100637047) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
PubChem CID100637047
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Nametert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1
InChIInChI=1S/C19H31N3O4/c1-18(2,3)26-17(25)21-10-7-13(8-11-21)9-12-22-15(23)19(4,14-5-6-14)20-16(22)24/h13-14H,5-12H2,1-4H3,(H,20,24)/t19-/m0/s1
InChIKeyMPASODSCSKTMKT-IBGZPJMESA-N
XLogP2.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 67714075
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CID 90272489
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
2-[(3R)-3-methyl-1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-3-yl]acetic acid
CID 54269284
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate
CID 146627420
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CID 160709457
tert-butyl 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]piperidine-1-carboxylate
CID 126963332
tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
CID 10335583
tert-butyl 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine-1-carboxylate
CID 23084142
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate (CID 100637047) is tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1.
What is the InChIKey of tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is MPASODSCSKTMKT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H31N3O4/c1-18(2,3)26-17(25)21-10-7-13(8-11-21)9-12-22-15(23)19(4,14-5-6-14)20-16(22)24/h13-14H,5-12H2,1-4H3,(H,20,24)/t19-/m0/s1.
What are the key properties of tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 100637047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).