4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one

C13H23N3O — CID 117005664

IUPAC4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(C2CCN(C3CC3)CC2)C1
InChIInChI=1S/C13H23N3O/c14-8-10-7-13(17)16(9-10)12-3-5-15(6-4-12)11-1-2-11/h10-12H,1-9,14H2
InChIKeyRFIPISCTKLGJBJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.42
Rot. Bonds3

About 4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 117005664) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID117005664
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(C2CCN(C3CC3)CC2)C1
InChIInChI=1S/C13H23N3O/c14-8-10-7-13(17)16(9-10)12-3-5-15(6-4-12)11-1-2-11/h10-12H,1-9,14H2
InChIKeyRFIPISCTKLGJBJ-UHFFFAOYSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168660113
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one
CID 117005737
4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
CID 83040179
4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one
CID 168658935
1-(1-ethylpiperidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669798
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 136521897
4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
CID 168503801
4-(azidomethyl)-1-cyclopropylpyrrolidin-2-one
CID 168657099
N'-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110017734
4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 117005596
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one (CID 117005664) is 4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one is NCC1CC(=O)N(C2CCN(C3CC3)CC2)C1.
What is the InChIKey of 4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is RFIPISCTKLGJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c14-8-10-7-13(17)16(9-10)12-3-5-15(6-4-12)11-1-2-11/h10-12H,1-9,14H2.
What are the key properties of 4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 117005664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).