tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate

C20H37N3O3 — CID 143499871

IUPACtert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)CCNC(=O)[C@H]1CC(CNC2CC2)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H37N3O3/c1-14(2)8-9-21-18(24)16-10-15(11-22-17-6-7-17)12-23(13-16)19(25)26-20(3,4)5/h14-17,22H,6-13H2,1-5H3,(H,21,24)/t15?,16-/m0/s1
InChIKeyCJLYVDRYDNUAJO-LYKKTTPLSA-N
MW367.53 g/mol
LogP2.77
Rot. Bonds7

About tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate

tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate (PubChem CID 143499871) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
PubChem CID143499871
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC Nametert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)CCNC(=O)[C@H]1CC(CNC2CC2)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H37N3O3/c1-14(2)8-9-21-18(24)16-10-15(11-22-17-6-7-17)12-23(13-16)19(25)26-20(3,4)5/h14-17,22H,6-13H2,1-5H3,(H,21,24)/t15?,16-/m0/s1
InChIKeyCJLYVDRYDNUAJO-LYKKTTPLSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate (CID 143499871) is tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate is CC(C)CCNC(=O)[C@H]1CC(CNC2CC2)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is CJLYVDRYDNUAJO-LYKKTTPLSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-14(2)8-9-21-18(24)16-10-15(11-22-17-6-7-17)12-23(13-16)19(25)26-20(3,4)5/h14-17,22H,6-13H2,1-5H3,(H,21,24)/t15?,16-/m0/s1.
What are the key properties of tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate?
tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 367.53 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-3-[(cyclopropylamino)methyl]-5-(3-methylbutylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 143499871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).