N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide

C24H34N4O3S — CID 24732077

IUPACN-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
SMILESCN(C)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C24H34N4O3S/c1-26(2)18-19-28(24(29)20-7-9-23(10-8-20)32(3,30)31)22-12-16-27(17-13-22)15-11-21-6-4-5-14-25-21/h4-10,14,22H,11-13,15-19H2,1-3H3
InChIKeyRYISSRDGVZBZOJ-UHFFFAOYSA-N
MW458.63 g/mol
LogP2.20
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide

N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide (PubChem CID 24732077) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
PubChem CID24732077
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
SMILESCN(C)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C24H34N4O3S/c1-26(2)18-19-28(24(29)20-7-9-23(10-8-20)32(3,30)31)22-12-16-27(17-13-22)15-11-21-6-4-5-14-25-21/h4-10,14,22H,11-13,15-19H2,1-3H3
InChIKeyRYISSRDGVZBZOJ-UHFFFAOYSA-N
XLogP2.20
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 60609216
N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide
CID 47090107
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride
CID 119868605
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 24732380
N-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1H-pyridine-2-carboxamide
CID 138025288
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586
(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 52510919

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide (CID 24732077) is N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide is CN(C)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
The InChIKey is RYISSRDGVZBZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S/c1-26(2)18-19-28(24(29)20-7-9-23(10-8-20)32(3,30)31)22-12-16-27(17-13-22)15-11-21-6-4-5-14-25-21/h4-10,14,22H,11-13,15-19H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide has a molecular weight of 458.63 g/mol, XLogP of 2.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methylsulfonyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 24732077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).