(3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide

C15H25N3O4S — CID 95599731

IUPAC(3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCCC1)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H25N3O4S/c19-14(16-23(21,22)18-9-2-1-3-10-18)13-5-4-8-17(11-13)15(20)12-6-7-12/h12-13H,1-11H2,(H,16,19)/t13-/m1/s1
InChIKeyZRQXKLMLYPNQTR-CYBMUJFWSA-N
MW343.45 g/mol
LogP0.48
Rot. Bonds4

About (3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide

(3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 95599731) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID95599731
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name(3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCCC1)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H25N3O4S/c19-14(16-23(21,22)18-9-2-1-3-10-18)13-5-4-8-17(11-13)15(20)12-6-7-12/h12-13H,1-11H2,(H,16,19)/t13-/m1/s1
InChIKeyZRQXKLMLYPNQTR-CYBMUJFWSA-N
XLogP0.48
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 95599732
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95311721
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
N-(2-cyclohexylcyclopropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 71929793
(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565229
N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 112550543
1-(cyclopropanecarbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119453411
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 43354917
cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119643117

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide (CID 95599731) is (3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide is O=C(NS(=O)(=O)N1CCCCC1)[C@@H]1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of (3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZRQXKLMLYPNQTR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O4S/c19-14(16-23(21,22)18-9-2-1-3-10-18)13-5-4-8-17(11-13)15(20)12-6-7-12/h12-13H,1-11H2,(H,16,19)/t13-/m1/s1.
What are the key properties of (3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
(3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95599731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).