N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide

C23H31N3O2 — CID 72902576

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc[nH]1
InChIInChI=1S/C23H31N3O2/c1-28-13-12-26(23(27)22-9-4-10-24-22)17-18-6-5-11-25(16-18)21-14-19-7-2-3-8-20(19)15-21/h2-4,7-10,18,21,24H,5-6,11-17H2,1H3
InChIKeyLPJKMFDMMGCCBU-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.98
Rot. Bonds7

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide (PubChem CID 72902576) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide
PubChem CID72902576
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc[nH]1
InChIInChI=1S/C23H31N3O2/c1-28-13-12-26(23(27)22-9-4-10-24-22)17-18-6-5-11-25(16-18)21-14-19-7-2-3-8-20(19)15-21/h2-4,7-10,18,21,24H,5-6,11-17H2,1H3
InChIKeyLPJKMFDMMGCCBU-UHFFFAOYSA-N
XLogP2.98
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-imidazole-5-carboxamide
CID 97271061
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
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 72930957
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpyrazole-3-carboxamide
CID 25458245
2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 45172069
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 26332304
ethyl 2-[[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)carbamoyl]amino]acetate
CID 25488529
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 25310382
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-(2H-indazol-3-yl)-N-(2-methoxyethyl)acetamide
CID 45203136
(E)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 45246397
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine
CID 31043035

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide (CID 72902576) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc[nH]1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is LPJKMFDMMGCCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-28-13-12-26(23(27)22-9-4-10-24-22)17-18-6-5-11-25(16-18)21-14-19-7-2-3-8-20(19)15-21/h2-4,7-10,18,21,24H,5-6,11-17H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 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-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 72902576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).