N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide

C27H38N2O2 — CID 42116943

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide
SMILESO=C(C1=CCCCC1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1
InChIInChI=1S/C27H38N2O2/c30-27(22-7-2-1-3-8-22)29(20-26-11-6-16-31-26)19-21-12-14-28(15-13-21)25-17-23-9-4-5-10-24(23)18-25/h4-5,7,9-10,21,25-26H,1-3,6,8,11-20H2/t26-/m1/s1
InChIKeyZQKFXYOMFQZKOM-AREMUKBSSA-N
MW422.61 g/mol
LogP4.37
Rot. Bonds6

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide (PubChem CID 42116943) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide
PubChem CID42116943
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide
SMILESO=C(C1=CCCCC1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1
InChIInChI=1S/C27H38N2O2/c30-27(22-7-2-1-3-8-22)29(20-26-11-6-16-31-26)19-21-12-14-28(15-13-21)25-17-23-9-4-5-10-24(23)18-25/h4-5,7,9-10,21,25-26H,1-3,6,8,11-20H2/t26-/m1/s1
InChIKeyZQKFXYOMFQZKOM-AREMUKBSSA-N
XLogP4.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45215439
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25307608
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 25446634
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25455941
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 42191308
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 42595950
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97273961
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 97280348
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-6-fluoro-4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)cyclohexa-1,5-diene-1-carboxamide
CID 156157102
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 42216138
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4,4,4-trifluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 42216140
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42402278

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide (CID 42116943) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide is O=C(C1=CCCCC1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide?
The InChIKey is ZQKFXYOMFQZKOM-AREMUKBSSA-N. The full InChI is InChI=1S/C27H38N2O2/c30-27(22-7-2-1-3-8-22)29(20-26-11-6-16-31-26)19-21-12-14-28(15-13-21)25-17-23-9-4-5-10-24(23)18-25/h4-5,7,9-10,21,25-26H,1-3,6,8,11-20H2/t26-/m1/s1.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide has a molecular weight of 422.61 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 42116943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).