1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea

C18H34N4O3 — CID 136517705

IUPAC1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NCC2(O)CCOC2)(N2CCCCC2)CC1
InChIInChI=1S/C18H34N4O3/c1-21-10-5-17(6-11-21,22-8-3-2-4-9-22)13-19-16(23)20-14-18(24)7-12-25-15-18/h24H,2-15H2,1H3,(H2,19,20,23)
InChIKeyIDOCMCSBNFSCKL-UHFFFAOYSA-N
MW354.50 g/mol
LogP0.39
Rot. Bonds5

About 1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea

1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea (PubChem CID 136517705) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea
PubChem CID136517705
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea
SMILESCN1CCC(CNC(=O)NCC2(O)CCOC2)(N2CCCCC2)CC1
InChIInChI=1S/C18H34N4O3/c1-21-10-5-17(6-11-21,22-8-3-2-4-9-22)13-19-16(23)20-14-18(24)7-12-25-15-18/h24H,2-15H2,1H3,(H2,19,20,23)
InChIKeyIDOCMCSBNFSCKL-UHFFFAOYSA-N
XLogP0.39
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea with MolForge

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Related Compounds

(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
CID 119903533
2-methyl-1-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111497225
2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide
CID 71998960
N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119152904
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 106100321
4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119139362
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 106100320
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886673
1-(azepan-1-yl)-2-[(3-hydroxyoxolan-3-yl)methylamino]propan-1-one
CID 106100801
2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 119903545
2-methyl-1-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-(oxan-4-yl)guanidine;hydroiodide
CID 119152536

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea (CID 136517705) is 1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea is CN1CCC(CNC(=O)NCC2(O)CCOC2)(N2CCCCC2)CC1.
What is the InChIKey of 1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea?
The InChIKey is IDOCMCSBNFSCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-21-10-5-17(6-11-21,22-8-3-2-4-9-22)13-19-16(23)20-14-18(24)7-12-25-15-18/h24H,2-15H2,1H3,(H2,19,20,23).
What are the key properties of 1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea?
1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea has a molecular weight of 354.50 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 136517705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).