(3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone

C19H26N2O4S — CID 167983174

IUPAC(3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCC2)ccc1O)N1CCCC(C2CC2)C1
InChIInChI=1S/C19H26N2O4S/c22-18-8-7-16(26(24,25)21-10-1-2-11-21)12-17(18)19(23)20-9-3-4-15(13-20)14-5-6-14/h7-8,12,14-15,22H,1-6,9-11,13H2
InChIKeyPOAIUHSOVDZPFN-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.44
Rot. Bonds4

About (3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone

(3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 167983174) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is (3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID167983174
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name(3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCC2)ccc1O)N1CCCC(C2CC2)C1
InChIInChI=1S/C19H26N2O4S/c22-18-8-7-16(26(24,25)21-10-1-2-11-21)12-17(18)19(23)20-9-3-4-15(13-20)14-5-6-14/h7-8,12,14-15,22H,1-6,9-11,13H2
InChIKeyPOAIUHSOVDZPFN-UHFFFAOYSA-N
XLogP2.44
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 9296320
ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate
CID 43853493
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640784
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51525680
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
CID 32615367
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-4-bromobenzenesulfonamide
CID 9295119
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
CID 9489943
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 78802539
[2-methyl-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 99969007

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 167983174) is (3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone is O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1O)N1CCCC(C2CC2)C1.
What is the InChIKey of (3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is POAIUHSOVDZPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c22-18-8-7-16(26(24,25)21-10-1-2-11-21)12-17(18)19(23)20-9-3-4-15(13-20)14-5-6-14/h7-8,12,14-15,22H,1-6,9-11,13H2.
What are the key properties of (3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone?
(3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 378.49 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 167983174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).