(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide

C16H32N2O3S — CID 98365618

IUPAC(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCC)C1
InChIInChI=1S/C16H32N2O3S/c1-3-5-6-7-8-11-17-16(19)15-10-9-12-18(14-15)22(20,21)13-4-2/h15H,3-14H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyYHVYUBCWYRZQCP-OAHLLOKOSA-N
MW332.51 g/mol
LogP2.52
Rot. Bonds10

About (3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide

(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 98365618) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is (3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID98365618
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC Name(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCC)C1
InChIInChI=1S/C16H32N2O3S/c1-3-5-6-7-8-11-17-16(19)15-10-9-12-18(14-15)22(20,21)13-4-2/h15H,3-14H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyYHVYUBCWYRZQCP-OAHLLOKOSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55716455
N-[2-(dimethylamino)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4054664
(3R)-N-(3-oxo-3-piperidin-1-ylpropyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 94101912
N-[2-(2-methoxyethoxy)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55685553
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241
N-[3-[4-(dimethylamino)phenyl]propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55683504
N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 3242399
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935

Frequently Asked Questions

What is the IUPAC name of (3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide (CID 98365618) is (3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide is CCCCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCC)C1.
What is the InChIKey of (3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is YHVYUBCWYRZQCP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-3-5-6-7-8-11-17-16(19)15-10-9-12-18(14-15)22(20,21)13-4-2/h15H,3-14H2,1-2H3,(H,17,19)/t15-/m1/s1.
What are the key properties of (3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide?
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 332.51 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 98365618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).