3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide

C18H29N3O3S — CID 113145813

IUPAC3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(c1ccc(N2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-15(2)19-18(22)11-14-21(25(3,23)24)17-9-7-16(8-10-17)20-12-5-4-6-13-20/h7-10,15H,4-6,11-14H2,1-3H3,(H,19,22)
InChIKeyKXABSVVHALPNPK-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.36
Rot. Bonds7

About 3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide

3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide (PubChem CID 113145813) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide
PubChem CID113145813
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(c1ccc(N2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O3S/c1-15(2)19-18(22)11-14-21(25(3,23)24)17-9-7-16(8-10-17)20-12-5-4-6-13-20/h7-10,15H,4-6,11-14H2,1-3H3,(H,19,22)
InChIKeyKXABSVVHALPNPK-UHFFFAOYSA-N
XLogP2.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113145791
2-methyl-N-[2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113071351
methyl 4-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 113145627
N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110647246
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113144169
4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53285377
2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)-N-prop-2-enylacetamide
CID 113156254
3-(2-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113143656
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43901468
3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide
CID 113145831
4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53286515
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide (CID 113145813) is 3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(c1ccc(N2CCCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of 3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide?
The InChIKey is KXABSVVHALPNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-15(2)19-18(22)11-14-21(25(3,23)24)17-9-7-16(8-10-17)20-12-5-4-6-13-20/h7-10,15H,4-6,11-14H2,1-3H3,(H,19,22).
What are the key properties of 3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide?
3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide has a molecular weight of 367.52 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 113145813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).