N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide

C24H28N4O4S — CID 55659644

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C24H28N4O4S/c29-23(26-16-18-6-5-13-25-24(18)32-19-7-1-2-8-19)17-11-14-28(15-12-17)22-20-9-3-4-10-21(20)33(30,31)27-22/h3-6,9-10,13,17,19H,1-2,7-8,11-12,14-16H2,(H,26,29)
InChIKeyUBXKVGGIFITCTQ-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.88
Rot. Bonds5

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide (PubChem CID 55659644) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
PubChem CID55659644
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C24H28N4O4S/c29-23(26-16-18-6-5-13-25-24(18)32-19-7-1-2-8-19)17-11-14-28(15-12-17)22-20-9-3-4-10-21(20)33(30,31)27-22/h3-6,9-10,13,17,19H,1-2,7-8,11-12,14-16H2,(H,26,29)
InChIKeyUBXKVGGIFITCTQ-UHFFFAOYSA-N
XLogP2.88
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 9165223
N-cyclopentyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 8002141
N-[(2,4-dichlorophenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 4806568
(2-chloro-3-pyridinyl)methyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate
CID 56528153
3-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carbonyl]amino]propanoic acid
CID 119176968
N-[(3,4-dimethoxyphenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 55349746
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27515044
N-(2-amino-2-ethylbutyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 119643786
tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
CID 51941848
N-(2-amino-2-ethylbutyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119643785
N-[(4-butoxy-3-methoxyphenyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 39971204
trans-(1S,3S)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51958593

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide (CID 55659644) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide is O=C(NCc1cccnc1OC1CCCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The InChIKey is UBXKVGGIFITCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c29-23(26-16-18-6-5-13-25-24(18)32-19-7-1-2-8-19)17-11-14-28(15-12-17)22-20-9-3-4-10-21(20)33(30,31)27-22/h3-6,9-10,13,17,19H,1-2,7-8,11-12,14-16H2,(H,26,29).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55659644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).