N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide

C20H28N2O3 — CID 99832022

IUPACN-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc2c1CC[C@H]2NC(=O)N1CCC([C@@H]2CCCO2)CC1
InChIInChI=1S/C20H28N2O3/c1-24-19-5-2-4-15-16(19)7-8-17(15)21-20(23)22-11-9-14(10-12-22)18-6-3-13-25-18/h2,4-5,14,17-18H,3,6-13H2,1H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyOMWFXIXSQAKQLF-MSOLQXFVSA-N
MW344.45 g/mol
LogP3.28
Rot. Bonds3

About N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide

N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide (PubChem CID 99832022) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
PubChem CID99832022
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCOc1cccc2c1CC[C@H]2NC(=O)N1CCC([C@@H]2CCCO2)CC1
InChIInChI=1S/C20H28N2O3/c1-24-19-5-2-4-15-16(19)7-8-17(15)21-20(23)22-11-9-14(10-12-22)18-6-3-13-25-18/h2,4-5,14,17-18H,3,6-13H2,1H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyOMWFXIXSQAKQLF-MSOLQXFVSA-N
XLogP3.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6R)-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 100877000
N-[(1R)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
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(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
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1-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
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CID 136552454
N-[(2R)-2-methoxy-2-phenylethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124619395
N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124622105
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CID 126786894
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CID 167983409
3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10611920
2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide (CID 99832022) is N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide is COc1cccc2c1CC[C@H]2NC(=O)N1CCC([C@@H]2CCCO2)CC1.
What is the InChIKey of N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
The InChIKey is OMWFXIXSQAKQLF-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-19-5-2-4-15-16(19)7-8-17(15)21-20(23)22-11-9-14(10-12-22)18-6-3-13-25-18/h2,4-5,14,17-18H,3,6-13H2,1H3,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 99832022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).