N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

C16H24N2O5S — CID 18892154

IUPACN-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCCO)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O5S/c1-23-14-7-6-13(16(20)17-8-5-11-19)12-15(14)24(21,22)18-9-3-2-4-10-18/h6-7,12,19H,2-5,8-11H2,1H3,(H,17,20)
InChIKeySKPAPHKKDCRUFB-UHFFFAOYSA-N
MW356.44 g/mol
LogP0.98
Rot. Bonds7

About N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 18892154) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
PubChem CID18892154
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCCO)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H24N2O5S/c1-23-14-7-6-13(16(20)17-8-5-11-19)12-15(14)24(21,22)18-9-3-2-4-10-18/h6-7,12,19H,2-5,8-11H2,1H3,(H,17,20)
InChIKeySKPAPHKKDCRUFB-UHFFFAOYSA-N
XLogP0.98
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
4-methoxy-N-(7-methyloctyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 36618425
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55660270
N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18120867
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892264
4-methoxy-3-piperidin-1-ylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 100795466
3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 18145727
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26796023
propan-2-yl 2-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]acetate
CID 56536517
3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241498
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (CID 18892154) is N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)NCCCO)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is SKPAPHKKDCRUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-23-14-7-6-13(16(20)17-8-5-11-19)12-15(14)24(21,22)18-9-3-2-4-10-18/h6-7,12,19H,2-5,8-11H2,1H3,(H,17,20).
What are the key properties of N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 356.44 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18892154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).