N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide

C19H31N3O3S — CID 3242399

IUPACN-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)c2ccccc2)C1
InChIInChI=1S/C19H31N3O3S/c1-3-15-26(24,25)22-14-7-9-17(16-22)19(23)20-12-8-13-21(2)18-10-5-4-6-11-18/h4-6,10-11,17H,3,7-9,12-16H2,1-2H3,(H,20,23)
InChIKeyBLTLRPYCNDIWTB-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.08
Rot. Bonds9

About N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3242399) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3242399
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)c2ccccc2)C1
InChIInChI=1S/C19H31N3O3S/c1-3-15-26(24,25)22-14-7-9-17(16-22)19(23)20-12-8-13-21(2)18-10-5-4-6-11-18/h4-6,10-11,17H,3,7-9,12-16H2,1-2H3,(H,20,23)
InChIKeyBLTLRPYCNDIWTB-UHFFFAOYSA-N
XLogP2.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-ethylsulfonyl-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 94782843
N-[3-[4-(dimethylamino)phenyl]propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55683504
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4054664
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55753038
(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98679681
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
1-(2,6-dichlorophenyl)sulfonyl-N-[3-(N-methylanilino)propyl]piperidine-4-carboxamide
CID 27024550
1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide
CID 126797972

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 3242399) is N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCCN(C)c2ccccc2)C1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is BLTLRPYCNDIWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-3-15-26(24,25)22-14-7-9-17(16-22)19(23)20-12-8-13-21(2)18-10-5-4-6-11-18/h4-6,10-11,17H,3,7-9,12-16H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3242399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).