N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide

C19H37N3O3S — CID 55716455

IUPACN-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCCN2CCC(C)CC2)C1
InChIInChI=1S/C19H37N3O3S/c1-3-15-26(24,25)22-12-6-7-18(16-22)19(23)20-10-4-5-11-21-13-8-17(2)9-14-21/h17-18H,3-16H2,1-2H3,(H,20,23)
InChIKeyWVZHGFMSCCMPAX-UHFFFAOYSA-N
MW387.59 g/mol
LogP2.07
Rot. Bonds9

About N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55716455) has the molecular formula C19H37N3O3S and a molecular weight of 387.59 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55716455
Molecular FormulaC19H37N3O3S
Molecular Weight387.59 g/mol
Exact Mass387.26
IUPAC NameN-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCCCN2CCC(C)CC2)C1
InChIInChI=1S/C19H37N3O3S/c1-3-15-26(24,25)22-12-6-7-18(16-22)19(23)20-10-4-5-11-21-13-8-17(2)9-14-21/h17-18H,3-16H2,1-2H3,(H,20,23)
InChIKeyWVZHGFMSCCMPAX-UHFFFAOYSA-N
XLogP2.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.59
LogP ≤ 52.07
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

(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 4531205
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4054664
1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 46276243
(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 94101912
(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781
N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55685553
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 55526667

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 55716455) is N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCCCN2CCC(C)CC2)C1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is WVZHGFMSCCMPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O3S/c1-3-15-26(24,25)22-12-6-7-18(16-22)19(23)20-10-4-5-11-21-13-8-17(2)9-14-21/h17-18H,3-16H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 387.59 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55716455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).