[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone

C19H29N3O4S — CID 119594892

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(C(C)N)C2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H29N3O4S/c1-14(20)16-6-5-9-21(13-16)19(23)15-7-8-17(26-2)18(12-15)27(24,25)22-10-3-4-11-22/h7-8,12,14,16H,3-6,9-11,13,20H2,1-2H3
InChIKeySPWHHSWOCHRABH-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.68
Rot. Bonds5

About [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 119594892) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID119594892
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(C(C)N)C2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H29N3O4S/c1-14(20)16-6-5-9-21(13-16)19(23)15-7-8-17(26-2)18(12-15)27(24,25)22-10-3-4-11-22/h7-8,12,14,16H,3-6,9-11,13,20H2,1-2H3
InChIKeySPWHHSWOCHRABH-UHFFFAOYSA-N
XLogP1.68
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(3-ethylpiperidin-1-yl)methanone
CID 55654809
[3-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119595025
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 42924927
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396993
[3-(1-aminoethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119595891
[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119594083
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119594927
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 9296611
[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone;hydrochloride
CID 119594599
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 95285624
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride
CID 119519103

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 119594892) is [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone is COc1ccc(C(=O)N2CCCC(C(C)N)C2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is SPWHHSWOCHRABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-14(20)16-6-5-9-21(13-16)19(23)15-7-8-17(26-2)18(12-15)27(24,25)22-10-3-4-11-22/h7-8,12,14,16H,3-6,9-11,13,20H2,1-2H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 395.53 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 119594892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).