N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide

C11H22N4O2 — CID 61133131

IUPACN-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide
SMILESCCCC(=O)NC1(C(N)=NO)CCN(C)CC1
InChIInChI=1S/C11H22N4O2/c1-3-4-9(16)13-11(10(12)14-17)5-7-15(2)8-6-11/h17H,3-8H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyXACYMZGDGCVZES-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.11
Rot. Bonds4

About N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide

N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide (PubChem CID 61133131) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide
PubChem CID61133131
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide
SMILESCCCC(=O)NC1(C(N)=NO)CCN(C)CC1
InChIInChI=1S/C11H22N4O2/c1-3-4-9(16)13-11(10(12)14-17)5-7-15(2)8-6-11/h17H,3-8H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyXACYMZGDGCVZES-UHFFFAOYSA-N
XLogP0.11
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.11
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide?
The IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide (CID 61133131) is N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide.
What is the SMILES notation for N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide?
The canonical SMILES for N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide is CCCC(=O)NC1(C(N)=NO)CCN(C)CC1.
What is the InChIKey of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide?
The InChIKey is XACYMZGDGCVZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-3-4-9(16)13-11(10(12)14-17)5-7-15(2)8-6-11/h17H,3-8H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide?
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide has a molecular weight of 242.32 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide is sourced from PubChem (CID 61133131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).