1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

C25H32N2O3S — CID 71737624

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1
InChIInChI=1S/C25H32N2O3S/c1-3-27(19(2)20-8-5-4-6-9-20)25(28)22-14-16-26(17-15-22)31(29,30)24-13-12-21-10-7-11-23(21)18-24/h4-6,8-9,12-13,18-19,22H,3,7,10-11,14-17H2,1-2H3/t19-/m1/s1
InChIKeyPADGKRUSHNXDLQ-LJQANCHMSA-N
MW440.61 g/mol
LogP4.19
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 71737624) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID71737624
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1
InChIInChI=1S/C25H32N2O3S/c1-3-27(19(2)20-8-5-4-6-9-20)25(28)22-14-16-26(17-15-22)31(29,30)24-13-12-21-10-7-11-23(21)18-24/h4-6,8-9,12-13,18-19,22H,3,7,10-11,14-17H2,1-2H3/t19-/m1/s1
InChIKeyPADGKRUSHNXDLQ-LJQANCHMSA-N
XLogP4.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (CID 71737624) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is PADGKRUSHNXDLQ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-3-27(19(2)20-8-5-4-6-9-20)25(28)22-14-16-26(17-15-22)31(29,30)24-13-12-21-10-7-11-23(21)18-24/h4-6,8-9,12-13,18-19,22H,3,7,10-11,14-17H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 71737624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).