1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea

C19H28N4O2 — CID 87007472

IUPAC1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESO=C(NC1CCN(c2ccccn2)CC1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C19H28N4O2/c24-19(23(17-4-5-17)13-15-8-12-25-14-15)21-16-6-10-22(11-7-16)18-3-1-2-9-20-18/h1-3,9,15-17H,4-8,10-14H2,(H,21,24)
InChIKeyDCGUTHUFQCZORQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.26
Rot. Bonds5

About 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea

1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 87007472) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID87007472
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESO=C(NC1CCN(c2ccccn2)CC1)N(CC1CCOC1)C1CC1
InChIInChI=1S/C19H28N4O2/c24-19(23(17-4-5-17)13-15-8-12-25-14-15)21-16-6-10-22(11-7-16)18-3-1-2-9-20-18/h1-3,9,15-17H,4-8,10-14H2,(H,21,24)
InChIKeyDCGUTHUFQCZORQ-UHFFFAOYSA-N
XLogP2.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-cyclopropyl-3-[1-(4-fluorophenyl)piperidin-4-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94571853
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
3-(2-chloro-3-pyridinyl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 47434717
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
1-[(2-hydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 55808937
3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid
CID 64895091
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 94030793
3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 87003466
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94178436

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 87007472) is 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is O=C(NC1CCN(c2ccccn2)CC1)N(CC1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is DCGUTHUFQCZORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-19(23(17-4-5-17)13-15-8-12-25-14-15)21-16-6-10-22(11-7-16)18-3-1-2-9-20-18/h1-3,9,15-17H,4-8,10-14H2,(H,21,24).
What are the key properties of 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 344.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 87007472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).