1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea

C18H24N6O3 — CID 56742934

IUPAC1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CN)CC1
InChIInChI=1S/C18H24N6O3/c1-27-15-5-3-2-4-14(15)21-18(26)22-16-6-9-20-24(16)13-7-10-23(11-8-13)17(25)12-19/h2-6,9,13H,7-8,10-12,19H2,1H3,(H2,21,22,26)
InChIKeyYPNHKAGPWNGLIP-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.66
Rot. Bonds5

About 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea

1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea (PubChem CID 56742934) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
PubChem CID56742934
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CN)CC1
InChIInChI=1S/C18H24N6O3/c1-27-15-5-3-2-4-14(15)21-18(26)22-16-6-9-20-24(16)13-7-10-23(11-8-13)17(25)12-19/h2-6,9,13H,7-8,10-12,19H2,1H3,(H2,21,22,26)
InChIKeyYPNHKAGPWNGLIP-UHFFFAOYSA-N
XLogP1.66
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 25453482
1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 26336813
1-(2-methoxyphenyl)-3-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56756469
N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide
CID 42513641
1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25289876
1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 24819333
1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26391328
1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26396065
N-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 56745952
1-(2-methoxyphenyl)-3-[2-[1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26336058
1-(2-methoxyphenyl)-3-[2-[1-(3-phenylbutyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 45242231
1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea
CID 56747961

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea (CID 56742934) is 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CN)CC1.
What is the InChIKey of 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is YPNHKAGPWNGLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-27-15-5-3-2-4-14(15)21-18(26)22-16-6-9-20-24(16)13-7-10-23(11-8-13)17(25)12-19/h2-6,9,13H,7-8,10-12,19H2,1H3,(H2,21,22,26).
What are the key properties of 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 372.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 56742934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).