4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one

C14H21N5O — CID 168658935

IUPAC4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(C2CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H21N5O/c15-8-11-7-13(20)19(9-11)12-3-1-6-18(10-12)14-16-4-2-5-17-14/h2,4-5,11-12H,1,3,6-10,15H2
InChIKeyKCNLLMCSEBZVOB-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.25
Rot. Bonds3

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

4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one (PubChem CID 168658935) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one
PubChem CID168658935
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(C2CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H21N5O/c15-8-11-7-13(20)19(9-11)12-3-1-6-18(10-12)14-16-4-2-5-17-14/h2,4-5,11-12H,1,3,6-10,15H2
InChIKeyKCNLLMCSEBZVOB-UHFFFAOYSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidine-3-sulfonyl chloride
CID 168710977
[5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168681810
4-(aminomethyl)-1-(1-butylpiperidin-3-yl)pyrrolidin-2-one
CID 117005737
4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one
CID 117005664
2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
CID 80679402
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 97138600
[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278821
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 65224744
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
7-amino-3-hydroxy-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-3H-isoindol-1-one
CID 178083175
5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride
CID 168712009
1-[(3R)-1-benzylpiperidin-3-yl]-4-(bromomethyl)pyrrolidin-2-one
CID 168503517

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one (CID 168658935) is 4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one is NCC1CC(=O)N(C2CCCN(c3ncccn3)C2)C1.
What is the InChIKey of 4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one?
The InChIKey is KCNLLMCSEBZVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c15-8-11-7-13(20)19(9-11)12-3-1-6-18(10-12)14-16-4-2-5-17-14/h2,4-5,11-12H,1,3,6-10,15H2.
What are the key properties of 4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one has a molecular weight of 275.36 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 168658935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).