1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one

C13H22N6O — CID 107109700

IUPAC1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESNc1ccn(C2CCN(CCN3CCNC3=O)CC2)n1
InChIInChI=1S/C13H22N6O/c14-12-3-7-19(16-12)11-1-5-17(6-2-11)9-10-18-8-4-15-13(18)20/h3,7,11H,1-2,4-6,8-10H2,(H2,14,16)(H,15,20)
InChIKeyFGDQGJTVHGZIHZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.13
Rot. Bonds4

About 1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 107109700) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID107109700
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESNc1ccn(C2CCN(CCN3CCNC3=O)CC2)n1
InChIInChI=1S/C13H22N6O/c14-12-3-7-19(16-12)11-1-5-17(6-2-11)9-10-18-8-4-15-13(18)20/h3,7,11H,1-2,4-6,8-10H2,(H2,14,16)(H,15,20)
InChIKeyFGDQGJTVHGZIHZ-UHFFFAOYSA-N
XLogP0.13
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
CID 107109591
1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
CID 107109683
1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109951
1-[1-(4-methylpentyl)piperidin-4-yl]pyrazol-3-amine
CID 107109773
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109946
1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110055
1-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]pyrazol-3-amine
CID 107109665
1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109728
1-[2-(3-amino-1,2,4-triazol-1-yl)ethyl]imidazolidin-2-one
CID 60910685
1-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 55260993

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one (CID 107109700) is 1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one is Nc1ccn(C2CCN(CCN3CCNC3=O)CC2)n1.
What is the InChIKey of 1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is FGDQGJTVHGZIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c14-12-3-7-19(16-12)11-1-5-17(6-2-11)9-10-18-8-4-15-13(18)20/h3,7,11H,1-2,4-6,8-10H2,(H2,14,16)(H,15,20).
What are the key properties of 1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 107109700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).