2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one

C20H25N3O3 — CID 134799458

IUPAC2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one
SMILESCC(=O)N1CCCC1C(=O)N1CCC(N2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C20H25N3O3/c1-14(24)22-10-4-7-18(22)20(26)21-11-8-16(9-12-21)23-13-15-5-2-3-6-17(15)19(23)25/h2-3,5-6,16,18H,4,7-13H2,1H3
InChIKeyUOIDGMWIZGUFKZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.64
Rot. Bonds2

About 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one

2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one (PubChem CID 134799458) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one
PubChem CID134799458
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one
SMILESCC(=O)N1CCCC1C(=O)N1CCC(N2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C20H25N3O3/c1-14(24)22-10-4-7-18(22)20(26)21-11-8-16(9-12-21)23-13-15-5-2-3-6-17(15)19(23)25/h2-3,5-6,16,18H,4,7-13H2,1H3
InChIKeyUOIDGMWIZGUFKZ-UHFFFAOYSA-N
XLogP1.64
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-isoindol-1-one
CID 134790875
2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one
CID 134797149
1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95590201
(6S)-4-[(2S)-1-acetylpyrrolidine-2-carbonyl]-1-cyclohexyl-6-phenylmethoxy-1,4-diazepan-2-one
CID 26141920
2-(1-butylpiperidin-4-yl)-3H-isoindol-1-one
CID 57273753
2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 71207331
1-[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone;1H-pyridin-4-one
CID 143899398
2-[(2S)-1-acetylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 166317438
2-(1-acetylpyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232723
1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 124778110
1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 53015941
1-[(2S)-2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94670838

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one?
The IUPAC name of 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one (CID 134799458) is 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one is CC(=O)N1CCCC1C(=O)N1CCC(N2Cc3ccccc3C2=O)CC1.
What is the InChIKey of 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one?
The InChIKey is UOIDGMWIZGUFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(24)22-10-4-7-18(22)20(26)21-11-8-16(9-12-21)23-13-15-5-2-3-6-17(15)19(23)25/h2-3,5-6,16,18H,4,7-13H2,1H3.
What are the key properties of 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one?
2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one has a molecular weight of 355.44 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 134799458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).