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

C25H39N3O2 — CID 97127259

IUPAC(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCN(CCOC)C(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C25H39N3O2/c1-3-26(15-16-30-2)25(29)22-9-6-12-28(19-22)23-10-13-27(14-11-23)24-17-20-7-4-5-8-21(20)18-24/h4-5,7-8,22-24H,3,6,9-19H2,1-2H3/t22-/m1/s1
InChIKeyAXPBCGOOVYSESQ-JOCHJYFZSA-N
MW413.61 g/mol
LogP2.83
Rot. Bonds7

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

(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 97127259) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID97127259
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC Name(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCN(CCOC)C(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C25H39N3O2/c1-3-26(15-16-30-2)25(29)22-9-6-12-28(19-22)23-10-13-27(14-11-23)24-17-20-7-4-5-8-21(20)18-24/h4-5,7-8,22-24H,3,6,9-19H2,1-2H3/t22-/m1/s1
InChIKeyAXPBCGOOVYSESQ-JOCHJYFZSA-N
XLogP2.83
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 97135426
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 97135425
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 56873678
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171232
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 45252707
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188241
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 97273009
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide
CID 97275119
2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 45172069
(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 7047247
N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 97127259) is (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide is CCN(CCOC)C(=O)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1.
What is the InChIKey of (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is AXPBCGOOVYSESQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-3-26(15-16-30-2)25(29)22-9-6-12-28(19-22)23-10-13-27(14-11-23)24-17-20-7-4-5-8-21(20)18-24/h4-5,7-8,22-24H,3,6,9-19H2,1-2H3/t22-/m1/s1.
What are the key properties of (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 413.61 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97127259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).