tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate

C18H32N4O5 — CID 134826321

IUPACtert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate
SMILESCC(C)NC(=O)CNC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N4O5/c1-12(2)21-14(23)10-19-16(25)13-8-6-7-9-22(13)15(24)11-20-17(26)27-18(3,4)5/h12-13H,6-11H2,1-5H3,(H,19,25)(H,20,26)(H,21,23)/t13-/m0/s1
InChIKeyDNOOVXBTYDNRJI-ZDUSSCGKSA-N
MW384.48 g/mol
LogP0.53
Rot. Bonds6

About tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate

tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate (PubChem CID 134826321) has the molecular formula C18H32N4O5 and a molecular weight of 384.48 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate
PubChem CID134826321
Molecular FormulaC18H32N4O5
Molecular Weight384.48 g/mol
Exact Mass384.24
IUPAC Nametert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate
SMILESCC(C)NC(=O)CNC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N4O5/c1-12(2)21-14(23)10-19-16(25)13-8-6-7-9-22(13)15(24)11-20-17(26)27-18(3,4)5/h12-13H,6-11H2,1-5H3,(H,19,25)(H,20,26)(H,21,23)/t13-/m0/s1
InChIKeyDNOOVXBTYDNRJI-ZDUSSCGKSA-N
XLogP0.53
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]pentyl]carbamate
CID 11637576
[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butyl]-carbamic acid tert-butyl ester
CID 3108335
3-{[1-((R)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 9980010
3-{[1-((S)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 11743323
3-{[(R)-1-((S)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 44287569
3-{[(S)-1-((S)-6-Amino-2-tert-butoxycarbonylamino-hexanoyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 44287570
3-tert-Butyloxycarbonylamino-2-piperidone
CID 124787
tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate
CID 11310728
(R)-tert-butyl 2-oxopiperidin-3-ylcarbamate
CID 45092193
Tert-butyl (1-methyl-2,6-dioxopiperidin-3-yl)carbamate
CID 18335022
tert-butyl N-(2-oxopiperidin-3-yl)carbamate
CID 21260262
tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate
CID 34178804

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate (CID 134826321) is tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate is CC(C)NC(=O)CNC(=O)[C@@H]1CCCCN1C(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate?
The InChIKey is DNOOVXBTYDNRJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H32N4O5/c1-12(2)21-14(23)10-19-16(25)13-8-6-7-9-22(13)15(24)11-20-17(26)27-18(3,4)5/h12-13H,6-11H2,1-5H3,(H,19,25)(H,20,26)(H,21,23)/t13-/m0/s1.
What are the key properties of tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[(2S)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 134826321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).