tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate

C19H31N3O3 — CID 95314843

IUPACtert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)C2(C#N)CCCC2)C1
InChIInChI=1S/C19H31N3O3/c1-18(2,3)25-17(24)22-12-6-7-15(13-22)8-11-21-16(23)19(14-20)9-4-5-10-19/h15H,4-13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyDHMAOPKBCRDFJL-HNNXBMFYSA-N
MW349.48 g/mol
LogP3.22
Rot. Bonds4

About tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 95314843) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate
PubChem CID95314843
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Nametert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)C2(C#N)CCCC2)C1
InChIInChI=1S/C19H31N3O3/c1-18(2,3)25-17(24)22-12-6-7-15(13-22)8-11-21-16(23)19(14-20)9-4-5-10-19/h15H,4-13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyDHMAOPKBCRDFJL-HNNXBMFYSA-N
XLogP3.22
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 97172112
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CID 98214480
tert-butyl 3-(2-iodoethyl)piperidine-1-carboxylate
CID 10088547
tert-butyl 3-[2-(oxan-4-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 103745414
tert-butyl 3-[2-(5,5-dimethylhexan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 114279953
tert-butyl 3-[2-[(2-methylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 103748321
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 2756824
tert-butyl 3-[2-[(N'-propylcarbamimidoyl)amino]ethyl]piperidine-1-carboxylate;hydroiodide
CID 111806393
tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782880
tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782879
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate (CID 95314843) is tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)C2(C#N)CCCC2)C1.
What is the InChIKey of tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is DHMAOPKBCRDFJL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-18(2,3)25-17(24)22-12-6-7-15(13-22)8-11-21-16(23)19(14-20)9-4-5-10-19/h15H,4-13H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 349.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[2-[(1-cyanocyclopentanecarbonyl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 95314843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).