tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate

C14H22N4O3 — CID 57462892

IUPACtert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](NC(=O)n2ccnc2)C1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17-7-4-5-11(9-17)16-12(19)18-8-6-15-10-18/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyPFLQZABDSGFRSA-NSHDSACASA-N
MW294.35 g/mol
LogP1.84
Rot. Bonds1

About tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate

tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate (PubChem CID 57462892) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate
PubChem CID57462892
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Nametert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](NC(=O)n2ccnc2)C1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17-7-4-5-11(9-17)16-12(19)18-8-6-15-10-18/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyPFLQZABDSGFRSA-NSHDSACASA-N
XLogP1.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
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CID 171397391
tert-butyl (3R)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]piperidine-1-carboxylate
CID 66564157
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
CID 126812951
tert-butyl (3S)-3-[[(E)-but-2-enoyl]amino]piperidine-1-carboxylate
CID 155353442
tert-butyl 3-(methylsulfanylamino)piperidine-1-carboxylate
CID 142582835
tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate
CID 71514723
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate (CID 57462892) is tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)n2ccnc2)C1.
What is the InChIKey of tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate?
The InChIKey is PFLQZABDSGFRSA-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17-7-4-5-11(9-17)16-12(19)18-8-6-15-10-18/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,16,19)/t11-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate?
tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(imidazole-1-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 57462892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).