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

C17H26N4O2 — CID 94172517

IUPAC1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)NC[C@H]1CCOC1
InChIInChI=1S/C17H26N4O2/c22-17(20-12-15-6-9-23-13-15)19-11-14-4-5-16(18-10-14)21-7-2-1-3-8-21/h4-5,10,15H,1-3,6-9,11-13H2,(H2,19,20,22)/t15-/m1/s1
InChIKeyGXJOUUGABJDJMK-OAHLLOKOSA-N
MW318.42 g/mol
LogP1.91
Rot. Bonds5

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

1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 94172517) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID94172517
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)NC[C@H]1CCOC1
InChIInChI=1S/C17H26N4O2/c22-17(20-12-15-6-9-23-13-15)19-11-14-4-5-16(18-10-14)21-7-2-1-3-8-21/h4-5,10,15H,1-3,6-9,11-13H2,(H2,19,20,22)/t15-/m1/s1
InChIKeyGXJOUUGABJDJMK-OAHLLOKOSA-N
XLogP1.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]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-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[(2S)-2-cyclopropyl-2-hydroxyethyl]urea
CID 97310846
N-(oxolan-3-ylmethyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689591
1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36513862
1-prop-2-enyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36507156
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 119846498
(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
CID 97224310
2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 94025809
1-hydroxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 110907185
2-oxo-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]imidazolidine-4-carboxamide
CID 71877710

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea (CID 94172517) is 1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea is O=C(NCc1ccc(N2CCCCC2)nc1)NC[C@H]1CCOC1.
What is the InChIKey of 1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is GXJOUUGABJDJMK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-17(20-12-15-6-9-23-13-15)19-11-14-4-5-16(18-10-14)21-7-2-1-3-8-21/h4-5,10,15H,1-3,6-9,11-13H2,(H2,19,20,22)/t15-/m1/s1.
What are the key properties of 1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea?
1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 318.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 94172517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).