N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide

C20H28ClN3O5S — CID 3240083

IUPACN-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C20H28ClN3O5S/c21-18-4-2-1-3-17(18)15-22-19(25)16-5-9-23(10-6-16)30(26,27)24-11-7-20(8-12-24)28-13-14-29-20/h1-4,16H,5-15H2,(H,22,25)
InChIKeyWPKOOZCZPDTAHH-UHFFFAOYSA-N
MW457.98 g/mol
LogP1.75
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 3240083) has the molecular formula C20H28ClN3O5S and a molecular weight of 457.98 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
PubChem CID3240083
Molecular FormulaC20H28ClN3O5S
Molecular Weight457.98 g/mol
Exact Mass457.14
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C20H28ClN3O5S/c21-18-4-2-1-3-17(18)15-22-19(25)16-5-9-23(10-6-16)30(26,27)24-11-7-20(8-12-24)28-13-14-29-20/h1-4,16H,5-15H2,(H,22,25)
InChIKeyWPKOOZCZPDTAHH-UHFFFAOYSA-N
XLogP1.75
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 3241077
1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3707508
N~4~-(2-Chlorobenzyl)-1-(morpholinosulfonyl)-4-piperidinecarboxamide
CID 4064508
N-[(2-chloro-4-fluorophenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4293809
N-[(2-chloro-4-fluorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5165086
N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 16034258
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)piperidine-4-carboxamide
CID 16194243
1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3243144
N-[2-(4-chlorophenyl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)piperidine-4-carboxamide
CID 3237795
N-(2-chloro-4-fluorobenzyl)-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)piperidine-4-carboxamide
CID 3238587
N-(2-chlorobenzyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3245268
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide (CID 3240083) is N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is WPKOOZCZPDTAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O5S/c21-18-4-2-1-3-17(18)15-22-19(25)16-5-9-23(10-6-16)30(26,27)24-11-7-20(8-12-24)28-13-14-29-20/h1-4,16H,5-15H2,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 457.98 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 3240083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).