N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide

C23H28N2O2 — CID 45200396

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C23H28N2O2/c26-23(12-14-27-22-10-2-1-3-11-22)24-20-9-6-13-25(17-20)21-15-18-7-4-5-8-19(18)16-21/h1-5,7-8,10-11,20-21H,6,9,12-17H2,(H,24,26)
InChIKeyHOWZYIGBUHJKAP-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.20
Rot. Bonds6

About N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide

N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide (PubChem CID 45200396) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide
PubChem CID45200396
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C23H28N2O2/c26-23(12-14-27-22-10-2-1-3-11-22)24-20-9-6-13-25(17-20)21-15-18-7-4-5-8-19(18)16-21/h1-5,7-8,10-11,20-21H,6,9,12-17H2,(H,24,26)
InChIKeyHOWZYIGBUHJKAP-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2,5-dimethoxyphenyl)acetamide
CID 25295085
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 45191724
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenoxypropanamide
CID 110736812
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 45194204
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-[(dimethylamino)methyl]furan-2-carboxamide
CID 45193739
N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-phenoxypropanamide
CID 42595942
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-phenylpiperidin-3-amine
CID 26397977
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide (CID 45200396) is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide?
The InChIKey is HOWZYIGBUHJKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(12-14-27-22-10-2-1-3-11-22)24-20-9-6-13-25(17-20)21-15-18-7-4-5-8-19(18)16-21/h1-5,7-8,10-11,20-21H,6,9,12-17H2,(H,24,26).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide?
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide has a molecular weight of 364.49 g/mol, XLogP of 3.20, 6 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]-3-phenoxypropanamide is sourced from PubChem (CID 45200396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).