1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C15H25N3O2 — CID 81492948

IUPAC1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H25N3O2/c19-14-3-4-15(20)18(14)10-9-17-7-5-13(6-8-17)16-11-12-1-2-12/h12-13,16H,1-11H2
InChIKeyNBVMSSHMXVZIMF-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.60
Rot. Bonds6

About 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 81492948) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID81492948
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H25N3O2/c19-14-3-4-15(20)18(14)10-9-17-7-5-13(6-8-17)16-11-12-1-2-12/h12-13,16H,1-11H2
InChIKeyNBVMSSHMXVZIMF-UHFFFAOYSA-N
XLogP0.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.60
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

3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 81492860
1-(2-aminoethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 121230314
1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 60745321
4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
CID 115307344
N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride
CID 119926349
N-(cyclopropylmethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82870184
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283386
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile
CID 115307297
N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine
CID 120841561
N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103181632
N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
CID 115306881

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 81492948) is 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCN1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is NBVMSSHMXVZIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c19-14-3-4-15(20)18(14)10-9-17-7-5-13(6-8-17)16-11-12-1-2-12/h12-13,16H,1-11H2.
What are the key properties of 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 279.38 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 81492948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).