1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

C17H29N5O2 — CID 136578353

IUPAC1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCC1CCN(CCNC(=O)Nc2cnn(CC3CCCO3)c2)CC1
InChIInChI=1S/C17H29N5O2/c1-14-4-7-21(8-5-14)9-6-18-17(23)20-15-11-19-22(12-15)13-16-3-2-10-24-16/h11-12,14,16H,2-10,13H2,1H3,(H2,18,20,23)
InChIKeyQNLDWBMCTNHNNP-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.92
Rot. Bonds6

About 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (PubChem CID 136578353) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
PubChem CID136578353
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCC1CCN(CCNC(=O)Nc2cnn(CC3CCCO3)c2)CC1
InChIInChI=1S/C17H29N5O2/c1-14-4-7-21(8-5-14)9-6-18-17(23)20-15-11-19-22(12-15)13-16-3-2-10-24-16/h11-12,14,16H,2-10,13H2,1H3,(H2,18,20,23)
InChIKeyQNLDWBMCTNHNNP-UHFFFAOYSA-N
XLogP1.92
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea with MolForge

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Related Compounds

1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
1-(3-butoxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037539
1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038226
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 121145358
1-[2-ethyl-2-(hydroxymethyl)butyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136517483
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
1-[(2,4-dimethylphenyl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038939
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
N-butan-2-yl-2-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamoylamino]propanamide
CID 86863097
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 136578364

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (CID 136578353) is 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is CC1CCN(CCNC(=O)Nc2cnn(CC3CCCO3)c2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The InChIKey is QNLDWBMCTNHNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-14-4-7-21(8-5-14)9-6-18-17(23)20-15-11-19-22(12-15)13-16-3-2-10-24-16/h11-12,14,16H,2-10,13H2,1H3,(H2,18,20,23).
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea has a molecular weight of 335.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 136578353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).