1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea

C20H32N4O2 — CID 95687305

IUPAC1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea
SMILESC[C@@H]1CCCCN1CCCNC(=O)NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C20H32N4O2/c1-16-5-2-3-11-24(16)12-4-10-21-20(25)23-14-18-8-9-19(22-13-18)26-15-17-6-7-17/h8-9,13,16-17H,2-7,10-12,14-15H2,1H3,(H2,21,23,25)/t16-/m1/s1
InChIKeyPRYUHTWHJJDEOH-MRXNPFEDSA-N
MW360.50 g/mol
LogP2.93
Rot. Bonds9

About 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea

1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea (PubChem CID 95687305) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea
PubChem CID95687305
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea
SMILESC[C@@H]1CCCCN1CCCNC(=O)NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C20H32N4O2/c1-16-5-2-3-11-24(16)12-4-10-21-20(25)23-14-18-8-9-19(22-13-18)26-15-17-6-7-17/h8-9,13,16-17H,2-7,10-12,14-15H2,1H3,(H2,21,23,25)/t16-/m1/s1
InChIKeyPRYUHTWHJJDEOH-MRXNPFEDSA-N
XLogP2.93
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea with MolForge

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Related Compounds

1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371211
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 47066580
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370947
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111839189
1-[(2R)-2-(azepan-1-yl)-3-methylbutyl]-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
CID 97078290
1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371145
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94030807
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661
methyl 4-[[2-[(2R)-2-methylpiperidin-1-yl]ethylcarbamoylamino]methyl]benzoate
CID 51957643
1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60547514
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
CID 86904655

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea?
The IUPAC name of 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea (CID 95687305) is 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea.
What is the SMILES notation for 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea?
The canonical SMILES for 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea is C[C@@H]1CCCCN1CCCNC(=O)NCc1ccc(OCC2CC2)nc1.
What is the InChIKey of 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea?
The InChIKey is PRYUHTWHJJDEOH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-16-5-2-3-11-24(16)12-4-10-21-20(25)23-14-18-8-9-19(22-13-18)26-15-17-6-7-17/h8-9,13,16-17H,2-7,10-12,14-15H2,1H3,(H2,21,23,25)/t16-/m1/s1.
What are the key properties of 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea?
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea has a molecular weight of 360.50 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea is sourced from PubChem (CID 95687305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).