ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate

C18H22N2O4 — CID 95311873

IUPACethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C18H22N2O4/c1-2-23-18(22)19-15-7-5-9-20(11-15)17(21)14-10-13-6-3-4-8-16(13)24-12-14/h3-4,6,8,10,15H,2,5,7,9,11-12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyXAMABJMRULTDRC-HNNXBMFYSA-N
MW330.38 g/mol
LogP2.20
Rot. Bonds3

About ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate

ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate (PubChem CID 95311873) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate
PubChem CID95311873
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1
InChIInChI=1S/C18H22N2O4/c1-2-23-18(22)19-15-7-5-9-20(11-15)17(21)14-10-13-6-3-4-8-16(13)24-12-14/h3-4,6,8,10,15H,2,5,7,9,11-12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyXAMABJMRULTDRC-HNNXBMFYSA-N
XLogP2.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395350
ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate
CID 75417290
2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124969421
(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
CID 94825031
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone
CID 51478181
ethyl N-[(3R)-1-[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]piperidin-3-yl]carbamate
CID 94140930
ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate
CID 87018917
2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124974332
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953975

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate (CID 95311873) is ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate is CCOC(=O)N[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC2)C1.
What is the InChIKey of ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is XAMABJMRULTDRC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-23-18(22)19-15-7-5-9-20(11-15)17(21)14-10-13-6-3-4-8-16(13)24-12-14/h3-4,6,8,10,15H,2,5,7,9,11-12H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate?
ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 330.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 95311873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).