tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate

C20H28N2O4 — CID 9193212

IUPACtert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2CCOc3ccccc32)CC1
InChIInChI=1S/C20H28N2O4/c1-20(2,3)26-19(24)22-11-8-14(9-12-22)18(23)21-16-10-13-25-17-7-5-4-6-15(16)17/h4-7,14,16H,8-13H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyRVEGWDPTFDFUPQ-INIZCTEOSA-N
MW360.45 g/mol
LogP3.27
Rot. Bonds2

About tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 9193212) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID9193212
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Nametert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2CCOc3ccccc32)CC1
InChIInChI=1S/C20H28N2O4/c1-20(2,3)26-19(24)22-11-8-14(9-12-22)18(23)21-16-10-13-25-17-7-5-4-6-15(16)17/h4-7,14,16H,8-13H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyRVEGWDPTFDFUPQ-INIZCTEOSA-N
XLogP3.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate
CID 124881493
tert-butyl (2S,3R,4R)-3-[[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethylpiperidine-1-carboxylate
CID 124881497
1-tert-butyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 108757191
tert-butyl 4-[5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-1,3-benzoxazol-2-yl]piperazine-1-carboxylate
CID 170948195
tert-butyl 4-[[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]carbamoyl]-3-methylpiperazine-1-carboxylate
CID 166179370
tert-butyl (3S,8aR)-3-[[(4R)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]-7,7-difluoro-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylate
CID 66972830
tert-butyl 4-[(1S)-1-amino-2-[[(2S)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 142442542
1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide
CID 110741365
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)cyclohexanecarboxamide
CID 110471677
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
tert-butyl 4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51247475
tert-butyl 4-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
CID 94812936

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate (CID 9193212) is tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2CCOc3ccccc32)CC1.
What is the InChIKey of tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is RVEGWDPTFDFUPQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-20(2,3)26-19(24)22-11-8-14(9-12-22)18(23)21-16-10-13-25-17-7-5-4-6-15(16)17/h4-7,14,16H,8-13H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 9193212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).