3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide

C24H31N3O4 — CID 108555684

IUPAC3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H31N3O4/c28-21(11-10-17-6-2-1-3-7-17)25-18-12-14-26(15-13-18)22(29)16-27-23(30)19-8-4-5-9-20(19)24(27)31/h4-5,8-9,17-18H,1-3,6-7,10-16H2,(H,25,28)
InChIKeyDICKNDCRPCUBET-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.75
Rot. Bonds6

About 3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide

3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide (PubChem CID 108555684) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide
PubChem CID108555684
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H31N3O4/c28-21(11-10-17-6-2-1-3-7-17)25-18-12-14-26(15-13-18)22(29)16-27-23(30)19-8-4-5-9-20(19)24(27)31/h4-5,8-9,17-18H,1-3,6-7,10-16H2,(H,25,28)
InChIKeyDICKNDCRPCUBET-UHFFFAOYSA-N
XLogP2.75
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119562529
3-cyclohexyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 108555732
3-cyclohexyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108555735
2-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 108551996
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]butanamide
CID 108564718
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108551978
3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108555743
2-[2-[4-(azepan-1-yl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110667092
N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554022
N-[1-(3-chloropropanoyl)piperidin-4-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108562077
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide (CID 108555684) is 3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide is O=C(CCC1CCCCC1)NC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide?
The InChIKey is DICKNDCRPCUBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c28-21(11-10-17-6-2-1-3-7-17)25-18-12-14-26(15-13-18)22(29)16-27-23(30)19-8-4-5-9-20(19)24(27)31/h4-5,8-9,17-18H,1-3,6-7,10-16H2,(H,25,28).
What are the key properties of 3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide?
3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide has a molecular weight of 425.53 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108555684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).