(3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide

C23H39N3O3S — CID 92687204

IUPAC(3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H39N3O3S/c1-17(23-13-18-10-19(14-23)12-20(11-18)15-23)24-22(27)21-6-5-9-26(16-21)30(28,29)25-7-3-2-4-8-25/h17-21H,2-16H2,1H3,(H,24,27)/t17-,18?,19?,20?,21-,23?/m1/s1
InChIKeyRRTIPEWDWADICS-SPTIWXGTSA-N
MW437.65 g/mol
LogP3.15
Rot. Bonds5

About (3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide

(3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 92687204) has the molecular formula C23H39N3O3S and a molecular weight of 437.65 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID92687204
Molecular FormulaC23H39N3O3S
Molecular Weight437.65 g/mol
Exact Mass437.27
IUPAC Name(3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H39N3O3S/c1-17(23-13-18-10-19(14-23)12-20(11-18)15-23)24-22(27)21-6-5-9-26(16-21)30(28,29)25-7-3-2-4-8-25/h17-21H,2-16H2,1H3,(H,24,27)/t17-,18?,19?,20?,21-,23?/m1/s1
InChIKeyRRTIPEWDWADICS-SPTIWXGTSA-N
XLogP3.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.65
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26523138
N-[1-(1-adamantyl)ethyl]piperidine-3-carboxamide
CID 18072126
N-(1-adamantyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 51075647
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938
N-butan-2-yl-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 22552814
methyl (3S)-1-piperidin-1-ylsulfonylpiperidine-3-carboxylate
CID 79033124
N-[1-(1-adamantyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108509038
N-[(1R)-1-(1-adamantyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7929606
N-[1-(1-adamantyl)ethyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 4545371
(3S)-1-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 125074634
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 28958223

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (CID 92687204) is (3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is RRTIPEWDWADICS-SPTIWXGTSA-N. The full InChI is InChI=1S/C23H39N3O3S/c1-17(23-13-18-10-19(14-23)12-20(11-18)15-23)24-22(27)21-6-5-9-26(16-21)30(28,29)25-7-3-2-4-8-25/h17-21H,2-16H2,1H3,(H,24,27)/t17-,18?,19?,20?,21-,23?/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 437.65 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(1-adamantyl)ethyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92687204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).