4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

C15H25N3O2 — CID 119623785

IUPAC4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(NCC3CC3)CC2)CC1=O
InChIInChI=1S/C15H25N3O2/c1-17-10-12(8-14(17)19)15(20)18-6-4-13(5-7-18)16-9-11-2-3-11/h11-13,16H,2-10H2,1H3
InChIKeyAEBHAQBQQCDXPW-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.46
Rot. Bonds4

About 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one

4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 119623785) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID119623785
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(NCC3CC3)CC2)CC1=O
InChIInChI=1S/C15H25N3O2/c1-17-10-12(8-14(17)19)15(20)18-6-4-13(5-7-18)16-9-11-2-3-11/h11-13,16H,2-10H2,1H3
InChIKeyAEBHAQBQQCDXPW-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 119623785) is 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is CN1CC(C(=O)N2CCC(NCC3CC3)CC2)CC1=O.
What is the InChIKey of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is AEBHAQBQQCDXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17-10-12(8-14(17)19)15(20)18-6-4-13(5-7-18)16-9-11-2-3-11/h11-13,16H,2-10H2,1H3.
What are the key properties of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 119623785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).