N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide

C24H38N4O5S — CID 3241702

IUPACN-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)Cc1ccccc1
InChIInChI=1S/C24H38N4O5S/c1-26(20-21-6-3-2-4-7-21)13-5-12-25-23(29)22-8-14-27(15-9-22)34(30,31)28-16-10-24(11-17-28)32-18-19-33-24/h2-4,6-7,22H,5,8-20H2,1H3,(H,25,29)
InChIKeyRCZVUPQXIQLYGF-UHFFFAOYSA-N
MW494.66 g/mol
LogP1.42
Rot. Bonds9

About N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 3241702) has the molecular formula C24H38N4O5S and a molecular weight of 494.66 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
PubChem CID3241702
Molecular FormulaC24H38N4O5S
Molecular Weight494.66 g/mol
Exact Mass494.26
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)Cc1ccccc1
InChIInChI=1S/C24H38N4O5S/c1-26(20-21-6-3-2-4-7-21)13-5-12-25-23(29)22-8-14-27(15-9-22)34(30,31)28-16-10-24(11-17-28)32-18-19-33-24/h2-4,6-7,22H,5,8-20H2,1H3,(H,25,29)
InChIKeyRCZVUPQXIQLYGF-UHFFFAOYSA-N
XLogP1.42
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)piperidine-4-carboxamide
CID 3236820
N-(2-chlorobenzyl)-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)piperidine-4-carboxamide
CID 3240083
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-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 3243641
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3244782
N-benzyl-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3245094
8-({4-[(4-Benzylpiperidin-1-yl)carbonyl]piperidin-1-yl}sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 3245396
1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3707508
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)piperidine-4-carboxamide
CID 4091366
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)piperidine-4-carboxamide
CID 16194243
N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)piperidine-4-carboxamide
CID 16194244
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)piperidine-4-carboxamide
CID 16194279

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide (CID 3241702) is N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide is CN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is RCZVUPQXIQLYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O5S/c1-26(20-21-6-3-2-4-7-21)13-5-12-25-23(29)22-8-14-27(15-9-22)34(30,31)28-16-10-24(11-17-28)32-18-19-33-24/h2-4,6-7,22H,5,8-20H2,1H3,(H,25,29).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 494.66 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 3241702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).