tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate

C19H29N3O5 — CID 52511320

IUPACtert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate
SMILESCc1occc1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H29N3O5/c1-13-15(7-11-26-13)17(24)22-10-5-6-14(12-22)16(23)20-8-9-21-18(25)27-19(2,3)4/h7,11,14H,5-6,8-10,12H2,1-4H3,(H,20,23)(H,21,25)/t14-/m1/s1
InChIKeyWUVPUDMQRHDMKL-CQSZACIVSA-N
MW379.46 g/mol
LogP2.08
Rot. Bonds5

About tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate (PubChem CID 52511320) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate
PubChem CID52511320
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nametert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate
SMILESCc1occc1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H29N3O5/c1-13-15(7-11-26-13)17(24)22-10-5-6-14(12-22)16(23)20-8-9-21-18(25)27-19(2,3)4/h7,11,14H,5-6,8-10,12H2,1-4H3,(H,20,23)(H,21,25)/t14-/m1/s1
InChIKeyWUVPUDMQRHDMKL-CQSZACIVSA-N
XLogP2.08
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate
CID 49077996
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 1030627
N-(2-aminoethyl)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxamide
CID 106688486
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
CID 42780033
(4-benzylpiperidin-1-yl)-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 3492446
(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 7419606
1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
CID 4074750
tert-butyl N-[2-[[(3R)-1-ethylsulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 52508323
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 4615764

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate (CID 52511320) is tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate is Cc1occc1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate?
The InChIKey is WUVPUDMQRHDMKL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-13-15(7-11-26-13)17(24)22-10-5-6-14(12-22)16(23)20-8-9-21-18(25)27-19(2,3)4/h7,11,14H,5-6,8-10,12H2,1-4H3,(H,20,23)(H,21,25)/t14-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate has a molecular weight of 379.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(3R)-1-(2-methylfuran-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 52511320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).