tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate

C18H33N3O3 — CID 94147044

IUPACtert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H33N3O3/c1-13(16(22)19-14-7-5-6-8-14)21-11-9-15(10-12-21)20-17(23)24-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyFIEONKANBHLBOP-ZDUSSCGKSA-N
MW339.48 g/mol
LogP2.42
Rot. Bonds4

About tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate (PubChem CID 94147044) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
PubChem CID94147044
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Nametert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
SMILESC[C@@H](C(=O)NC1CCCC1)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H33N3O3/c1-13(16(22)19-14-7-5-6-8-14)21-11-9-15(10-12-21)20-17(23)24-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyFIEONKANBHLBOP-ZDUSSCGKSA-N
XLogP2.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate (CID 94147044) is tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate is C[C@@H](C(=O)NC1CCCC1)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The InChIKey is FIEONKANBHLBOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-13(16(22)19-14-7-5-6-8-14)21-11-9-15(10-12-21)20-17(23)24-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate has a molecular weight of 339.48 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 94147044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).