1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine

C15H28N4O3 — CID 119156095

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine
SMILESC/N=C(\NCC1(O)CCC1)NC1CCN(C(=O)COC)CC1
InChIInChI=1S/C15H28N4O3/c1-16-14(17-11-15(21)6-3-7-15)18-12-4-8-19(9-5-12)13(20)10-22-2/h12,21H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyKEKJZTJFBMMDIE-UHFFFAOYSA-N
MW312.41 g/mol
LogP-0.30
Rot. Bonds5

About 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine

1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine (PubChem CID 119156095) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine
PubChem CID119156095
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine
SMILESC/N=C(\NCC1(O)CCC1)NC1CCN(C(=O)COC)CC1
InChIInChI=1S/C15H28N4O3/c1-16-14(17-11-15(21)6-3-7-15)18-12-4-8-19(9-5-12)13(20)10-22-2/h12,21H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyKEKJZTJFBMMDIE-UHFFFAOYSA-N
XLogP-0.30
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-[(2-hydroxycyclopentyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine
CID 119155203
1-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 81178645
1-[(1-hydroxycyclobutyl)methyl]-2-methyl-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]guanidine
CID 119156149
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
methyl 4-[[N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111992948
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
1-[(1-hydroxycyclohexyl)methyl]-2-methyl-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119152692
N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide
CID 63121640
1-cyclohexyl-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 119115673
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine (CID 119156095) is 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine is C/N=C(\NCC1(O)CCC1)NC1CCN(C(=O)COC)CC1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine?
The InChIKey is KEKJZTJFBMMDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-16-14(17-11-15(21)6-3-7-15)18-12-4-8-19(9-5-12)13(20)10-22-2/h12,21H,3-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine?
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine has a molecular weight of 312.41 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylguanidine is sourced from PubChem (CID 119156095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).