4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one

C14H27N3O — CID 117005737

IUPAC4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one
SMILESCCCCN1CCCC(N2CC(CN)CC2=O)C1
InChIInChI=1S/C14H27N3O/c1-2-3-6-16-7-4-5-13(11-16)17-10-12(9-15)8-14(17)18/h12-13H,2-11,15H2,1H3
InChIKeyQZQKIPFESRCQHZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds5

About 4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one (PubChem CID 117005737) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one
PubChem CID117005737
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one
SMILESCCCCN1CCCC(N2CC(CN)CC2=O)C1
InChIInChI=1S/C14H27N3O/c1-2-3-6-16-7-4-5-13(11-16)17-10-12(9-15)8-14(17)18/h12-13H,2-11,15H2,1H3
InChIKeyQZQKIPFESRCQHZ-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one
CID 117005880
4-(hydroxymethyl)-1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidin-2-one
CID 117005709
4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one
CID 168658935
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one
CID 117005664
1-(1-butylazetidin-3-yl)pyrrolidin-2-one
CID 176923979
1-[(3R)-1-benzylpiperidin-3-yl]-4-(bromomethyl)pyrrolidin-2-one
CID 168503517
4-(aminomethyl)-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
CID 168660113
[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680507
4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one
CID 64590686
1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one
CID 111116676
4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
CID 83040179

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one (CID 117005737) is 4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one is CCCCN1CCCC(N2CC(CN)CC2=O)C1.
What is the InChIKey of 4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one?
The InChIKey is QZQKIPFESRCQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-3-6-16-7-4-5-13(11-16)17-10-12(9-15)8-14(17)18/h12-13H,2-11,15H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one has a molecular weight of 253.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 117005737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).