N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide

C26H31N3O3S — CID 118755329

IUPACN-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CCCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)C1
InChIInChI=1S/C26H31N3O3S/c1-2-12-28(15-18-10-11-18)24(30)19-6-4-13-27(16-19)22-9-3-8-21-23(22)26(32)29(25(21)31)17-20-7-5-14-33-20/h3,5,7-9,14,18-19H,2,4,6,10-13,15-17H2,1H3
InChIKeyKXMKCDMYPZUHBY-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.41
Rot. Bonds8

About N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide (PubChem CID 118755329) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide
PubChem CID118755329
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CCCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)C1
InChIInChI=1S/C26H31N3O3S/c1-2-12-28(15-18-10-11-18)24(30)19-6-4-13-27(16-19)22-9-3-8-21-23(22)26(32)29(25(21)31)17-20-7-5-14-33-20/h3,5,7-9,14,18-19H,2,4,6,10-13,15-17H2,1H3
InChIKeyKXMKCDMYPZUHBY-UHFFFAOYSA-N
XLogP4.41
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-ethylpiperidine-3-carboxamide
CID 118754313
4-[4-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-(thiophen-2-ylmethyl)isoindole-1,3-dione
CID 45221135
N-cyclohexyl-1-[1,3-dioxo-2-(1,3-thiazol-2-ylmethyl)isoindol-4-yl]-N-methylpiperidine-3-carboxamide
CID 45169369
1-[1,3-dioxo-2-(1,3-thiazol-2-ylmethyl)isoindol-4-yl]-N-methyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 45199213
1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidine-4-carboxamide
CID 42277312
(3S)-N-butyl-1-[1,3-dioxo-2-[(1S)-1-thiophen-2-ylethyl]isoindol-4-yl]-N-methylpiperidine-3-carboxamide
CID 42544642
N-butyl-1-[1,3-dioxo-2-(1-thiophen-2-ylethyl)isoindol-4-yl]-N-methylpiperidine-3-carboxamide
CID 45238878
N-benzyl-N-ethyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide
CID 45247822
(3R)-N,N-diethyl-1-[(3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carbonyl]piperidine-3-carboxamide
CID 125162280
N-benzyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45241436
N-butyl-1-[1,3-dioxo-2-(quinolin-3-ylmethyl)isoindol-4-yl]-N-methylpiperidine-3-carboxamide
CID 45169680
(3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide
CID 42162339

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide (CID 118755329) is N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide is CCCN(CC1CC1)C(=O)C1CCCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide?
The InChIKey is KXMKCDMYPZUHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-2-12-28(15-18-10-11-18)24(30)19-6-4-13-27(16-19)22-9-3-8-21-23(22)26(32)29(25(21)31)17-20-7-5-14-33-20/h3,5,7-9,14,18-19H,2,4,6,10-13,15-17H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 118755329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).