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

C25H37N3O2 — CID 25446634

IUPAC1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C3Cc4ccccc4C3)CC2)CC1
InChIInChI=1S/C25H37N3O2/c29-25(26-18-24-6-3-15-30-24)19-7-11-27(12-8-19)22-9-13-28(14-10-22)23-16-20-4-1-2-5-21(20)17-23/h1-2,4-5,19,22-24H,3,6-18H2,(H,26,29)/t24-/m1/s1
InChIKeyFCQRCMUVXAWSBN-XMMPIXPASA-N
MW411.59 g/mol
LogP2.63
Rot. Bonds5

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

1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 25446634) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID25446634
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C3Cc4ccccc4C3)CC2)CC1
InChIInChI=1S/C25H37N3O2/c29-25(26-18-24-6-3-15-30-24)19-7-11-27(12-8-19)22-9-13-28(14-10-22)23-16-20-4-1-2-5-21(20)17-23/h1-2,4-5,19,22-24H,3,6-18H2,(H,26,29)/t24-/m1/s1
InChIKeyFCQRCMUVXAWSBN-XMMPIXPASA-N
XLogP2.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-ethyl-1'-(2-methylbenzyl)-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24793902
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)succinamide
CID 23723809
1'-(2-methylbenzyl)-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24794058
N-(tetrahydro-2-furanylmethyl)-1'-(2,4,5-trimethylbenzyl)-1,4'-bipiperidine-4-carboxamide
CID 24816951
N-(2,3-Dihydro-1H-inden-1-yl)-4-(morpholin-4-yl)butanimidic acid
CID 110883
3-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45215439
1'-(3-Morpholinylacetyl)-2,3-dihydrospiro[indene-1,4'-piperidine]
CID 56881531
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
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]cyclopentanecarboxamide
CID 42595950
N~3~-acetyl-N~1~-{[1-(2-methylbenzyl)-4-piperidinyl]methyl}-N~1~-(tetrahydro-2-furanylmethyl)-beta-alaninamide
CID 45179427

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 25446634) is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C3Cc4ccccc4C3)CC2)CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is FCQRCMUVXAWSBN-XMMPIXPASA-N. The full InChI is InChI=1S/C25H37N3O2/c29-25(26-18-24-6-3-15-30-24)19-7-11-27(12-8-19)22-9-13-28(14-10-22)23-16-20-4-1-2-5-21(20)17-23/h1-2,4-5,19,22-24H,3,6-18H2,(H,26,29)/t24-/m1/s1.
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 411.59 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25446634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).