1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea

C18H28N4O2 — CID 94176691

IUPAC1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
SMILESCCN(C[C@H]1CCOC1)C(=O)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H28N4O2/c1-2-21(13-15-8-11-24-14-15)18(23)20-16-6-7-17(19-12-16)22-9-4-3-5-10-22/h6-7,12,15H,2-5,8-11,13-14H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyRPFBRUWVKGOXME-OAHLLOKOSA-N
MW332.45 g/mol
LogP2.96
Rot. Bonds5

About 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea

1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea (PubChem CID 94176691) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
PubChem CID94176691
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
SMILESCCN(C[C@H]1CCOC1)C(=O)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H28N4O2/c1-2-21(13-15-8-11-24-14-15)18(23)20-16-6-7-17(19-12-16)22-9-4-3-5-10-22/h6-7,12,15H,2-5,8-11,13-14H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyRPFBRUWVKGOXME-OAHLLOKOSA-N
XLogP2.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea with MolForge

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Related Compounds

1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 94030781
N-(oxolan-3-ylmethyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689591
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53499688
1-ethyl-1-(oxolan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 53498159
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94178436
1-[[(2R)-oxolan-2-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)-1-(pyridin-3-ylmethyl)urea
CID 52518364
(2S)-2-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 94146426
1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 94172517
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea (CID 94176691) is 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea is CCN(C[C@H]1CCOC1)C(=O)Nc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
The InChIKey is RPFBRUWVKGOXME-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-21(13-15-8-11-24-14-15)18(23)20-16-6-7-17(19-12-16)22-9-4-3-5-10-22/h6-7,12,15H,2-5,8-11,13-14H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea?
1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea has a molecular weight of 332.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 94176691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).