N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide

C25H32N2O3S — CID 43020408

IUPACN-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C25H32N2O3S/c1-2-15-26(19-20-7-4-3-5-8-20)25(28)22-13-16-27(17-14-22)31(29,30)24-12-11-21-9-6-10-23(21)18-24/h3-5,7-8,11-12,18,22H,2,6,9-10,13-17,19H2,1H3
InChIKeyDPECWRAMLYJWSK-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.01
Rot. Bonds7

About N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide

N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide (PubChem CID 43020408) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide
PubChem CID43020408
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC NameN-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C25H32N2O3S/c1-2-15-26(19-20-7-4-3-5-8-20)25(28)22-13-16-27(17-14-22)31(29,30)24-12-11-21-9-6-10-23(21)18-24/h3-5,7-8,11-12,18,22H,2,6,9-10,13-17,19H2,1H3
InChIKeyDPECWRAMLYJWSK-UHFFFAOYSA-N
XLogP4.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 46809002
N-butyl-N-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 78855666
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 78803580
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292172
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide
CID 17478368
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 38809396
N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27739638
(3R)-N-benzyl-N-ethyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 92723457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide (CID 43020408) is N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide is CCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is DPECWRAMLYJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-2-15-26(19-20-7-4-3-5-8-20)25(28)22-13-16-27(17-14-22)31(29,30)24-12-11-21-9-6-10-23(21)18-24/h3-5,7-8,11-12,18,22H,2,6,9-10,13-17,19H2,1H3.
What are the key properties of N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide?
N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 43020408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).