N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

C18H25N3O3S — CID 134006146

IUPACN-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCC(C)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H25N3O3S/c1-4-14(2)20(3)18(22)16-9-11-21(12-10-16)25(23,24)17-7-5-15(13-19)6-8-17/h5-8,14,16H,4,9-12H2,1-3H3
InChIKeyMOAXKLDCMUJWNL-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.22
Rot. Bonds5

About N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 134006146) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID134006146
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCC(C)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H25N3O3S/c1-4-14(2)20(3)18(22)16-9-11-21(12-10-16)25(23,24)17-7-5-15(13-19)6-8-17/h5-8,14,16H,4,9-12H2,1-3H3
InChIKeyMOAXKLDCMUJWNL-UHFFFAOYSA-N
XLogP2.22
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)sulfonyl-N-[2-(dimethylamino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86892187
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466
1-(4-cyanophenyl)sulfonyl-N-(3,5-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
CID 55593378
1-(4-cyanophenyl)sulfonyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55551073
1-(4-cyanophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26689303
N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
CID 55594102
1-(4-cyanophenyl)sulfonyl-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 8865714
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
2-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]acetic acid
CID 78979719
N-[1-(4-cyanophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55582684
(4-cyanophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 29321290
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 134006146) is N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is CCC(C)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is MOAXKLDCMUJWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-14(2)20(3)18(22)16-9-11-21(12-10-16)25(23,24)17-7-5-15(13-19)6-8-17/h5-8,14,16H,4,9-12H2,1-3H3.
What are the key properties of N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 134006146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).