2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine

C23H34N6OS — CID 111666402

IUPAC2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
SMILESC/N=C(\NCc1cccnc1N1CCOCC1)NCC1CCCN(C)C1c1cccs1
InChIInChI=1S/C23H34N6OS/c1-24-23(26-16-18-7-4-10-28(2)21(18)20-8-5-15-31-20)27-17-19-6-3-9-25-22(19)29-11-13-30-14-12-29/h3,5-6,8-9,15,18,21H,4,7,10-14,16-17H2,1-2H3,(H2,24,26,27)
InChIKeyDTRJXCLQWDWZIU-UHFFFAOYSA-N
MW442.63 g/mol
LogP2.73
Rot. Bonds6

About 2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine

2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine (PubChem CID 111666402) has the molecular formula C23H34N6OS and a molecular weight of 442.63 g/mol. Its IUPAC name is 2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
PubChem CID111666402
Molecular FormulaC23H34N6OS
Molecular Weight442.63 g/mol
Exact Mass442.25
IUPAC Name2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
SMILESC/N=C(\NCc1cccnc1N1CCOCC1)NCC1CCCN(C)C1c1cccs1
InChIInChI=1S/C23H34N6OS/c1-24-23(26-16-18-7-4-10-28(2)21(18)20-8-5-15-31-20)27-17-19-6-3-9-25-22(19)29-11-13-30-14-12-29/h3,5-6,8-9,15,18,21H,4,7,10-14,16-17H2,1-2H3,(H2,24,26,27)
InChIKeyDTRJXCLQWDWZIU-UHFFFAOYSA-N
XLogP2.73
TPSA65.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 15079637
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CID 118719606
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CID 15980475
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CID 57867523
CID 57867523
CID 135407408
CID 135407408
CID 15079636
CID 15079636
CID 44381653
CID 44381653
CID 44423531
CID 44423531
CID 44423532
CID 44423532
CID 70685325
CID 70685325
CID 135508250
CID 135508250
CID 16749728
CID 16749728

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine (CID 111666402) is 2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine is C/N=C(\NCc1cccnc1N1CCOCC1)NCC1CCCN(C)C1c1cccs1.
What is the InChIKey of 2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The InChIKey is DTRJXCLQWDWZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6OS/c1-24-23(26-16-18-7-4-10-28(2)21(18)20-8-5-15-31-20)27-17-19-6-3-9-25-22(19)29-11-13-30-14-12-29/h3,5-6,8-9,15,18,21H,4,7,10-14,16-17H2,1-2H3,(H2,24,26,27).
What are the key properties of 2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine has a molecular weight of 442.63 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111666402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).