tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate

C19H27N3O4 — CID 124721355

IUPACtert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc3occc3[nH]2)CC1(C)C
InChIInChI=1S/C19H27N3O4/c1-18(2,3)26-17(24)21-15-6-8-22(11-19(15,4)5)16(23)13-10-14-12(20-13)7-9-25-14/h7,9-10,15,20H,6,8,11H2,1-5H3,(H,21,24)/t15-/m0/s1
InChIKeyABVIQXCOQDCRMC-HNNXBMFYSA-N
MW361.44 g/mol
LogP3.53
Rot. Bonds2

About tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate

tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate (PubChem CID 124721355) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate
PubChem CID124721355
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc3occc3[nH]2)CC1(C)C
InChIInChI=1S/C19H27N3O4/c1-18(2,3)26-17(24)21-15-6-8-22(11-19(15,4)5)16(23)13-10-14-12(20-13)7-9-25-14/h7,9-10,15,20H,6,8,11H2,1-5H3,(H,21,24)/t15-/m0/s1
InChIKeyABVIQXCOQDCRMC-HNNXBMFYSA-N
XLogP3.53
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate (CID 124721355) is tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc3occc3[nH]2)CC1(C)C.
What is the InChIKey of tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate?
The InChIKey is ABVIQXCOQDCRMC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-18(2,3)26-17(24)21-15-6-8-22(11-19(15,4)5)16(23)13-10-14-12(20-13)7-9-25-14/h7,9-10,15,20H,6,8,11H2,1-5H3,(H,21,24)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate?
tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate has a molecular weight of 361.44 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4S)-1-(4H-furo[3,2-b]pyrrole-5-carbonyl)-3,3-dimethylpiperidin-4-yl]carbamate is sourced from PubChem (CID 124721355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).