tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate

C23H34N2O4 — CID 97254191

IUPACtert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate
SMILESCN(CCC1CCN(C(=O)[C@@H]2CCOc3ccccc32)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H34N2O4/c1-23(2,3)29-22(27)24(4)13-9-17-10-14-25(15-11-17)21(26)19-12-16-28-20-8-6-5-7-18(19)20/h5-8,17,19H,9-16H2,1-4H3/t19-/m1/s1
InChIKeyQEYPVVUWRHYAID-LJQANCHMSA-N
MW402.54 g/mol
LogP4.05
Rot. Bonds4

About tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate (PubChem CID 97254191) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate
PubChem CID97254191
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Nametert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate
SMILESCN(CCC1CCN(C(=O)[C@@H]2CCOc3ccccc32)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H34N2O4/c1-23(2,3)29-22(27)24(4)13-9-17-10-14-25(15-11-17)21(26)19-12-16-28-20-8-6-5-7-18(19)20/h5-8,17,19H,9-16H2,1-4H3/t19-/m1/s1
InChIKeyQEYPVVUWRHYAID-LJQANCHMSA-N
XLogP4.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate with MolForge

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63710835
[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666
[1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite
CID 134242940
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124556473
3,4-dihydro-2H-chromen-4-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746703
[3-(aminomethyl)pyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 55228016
3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone
CID 110647806
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 81468969
3,4-dihydro-2H-chromen-4-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63709581
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 103575894
3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124700551
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate (CID 97254191) is tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate is CN(CCC1CCN(C(=O)[C@@H]2CCOc3ccccc32)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate?
The InChIKey is QEYPVVUWRHYAID-LJQANCHMSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-23(2,3)29-22(27)24(4)13-9-17-10-14-25(15-11-17)21(26)19-12-16-28-20-8-6-5-7-18(19)20/h5-8,17,19H,9-16H2,1-4H3/t19-/m1/s1.
What are the key properties of tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate has a molecular weight of 402.54 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-4-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 97254191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).