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

C26H38N2O2 — CID 42595950

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1
InChIInChI=1S/C26H38N2O2/c29-26(21-6-1-2-7-21)28(19-25-10-5-15-30-25)18-20-11-13-27(14-12-20)24-16-22-8-3-4-9-23(22)17-24/h3-4,8-9,20-21,24-25H,1-2,5-7,10-19H2/t25-/m1/s1
InChIKeyTXPVTCGLCGWXOW-RUZDIDTESA-N
MW410.60 g/mol
LogP4.06
Rot. Bonds6

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

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 42595950) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 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]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID42595950
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1
InChIInChI=1S/C26H38N2O2/c29-26(21-6-1-2-7-21)28(19-25-10-5-15-30-25)18-20-11-13-27(14-12-20)24-16-22-8-3-4-9-23(22)17-24/h3-4,8-9,20-21,24-25H,1-2,5-7,10-19H2/t25-/m1/s1
InChIKeyTXPVTCGLCGWXOW-RUZDIDTESA-N
XLogP4.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)-4-oxopentanamide
CID 23723443
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]cyclohexene-1-carboxamide
CID 42116943
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]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-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)-3-butenamide
CID 45186856
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

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]cyclopentanecarboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopentanecarboxamide (CID 42595950) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopentanecarboxamide.
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]cyclopentanecarboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopentanecarboxamide is O=C(C1CCCC1)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]cyclopentanecarboxamide?
The InChIKey is TXPVTCGLCGWXOW-RUZDIDTESA-N. The full InChI is InChI=1S/C26H38N2O2/c29-26(21-6-1-2-7-21)28(19-25-10-5-15-30-25)18-20-11-13-27(14-12-20)24-16-22-8-3-4-9-23(22)17-24/h3-4,8-9,20-21,24-25H,1-2,5-7,10-19H2/t25-/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]cyclopentanecarboxamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 410.60 g/mol, XLogP of 4.06, 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]cyclopentanecarboxamide is sourced from PubChem (CID 42595950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).