4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide

C10H20N4O2 — CID 77039009

IUPAC4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C10H20N4O2/c1-2-5-12-10(15)14-6-3-8(4-7-14)9(11)13-16/h8,16H,2-7H2,1H3,(H2,11,13)(H,12,15)
InChIKeyDFUCAKNRFBSFDG-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.56
Rot. Bonds3

About 4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide

4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide (PubChem CID 77039009) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide
PubChem CID77039009
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C10H20N4O2/c1-2-5-12-10(15)14-6-3-8(4-7-14)9(11)13-16/h8,16H,2-7H2,1H3,(H2,11,13)(H,12,15)
InChIKeyDFUCAKNRFBSFDG-UHFFFAOYSA-N
XLogP0.56
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide
CID 77012597
4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
CID 79163549
4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
CID 80552356
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
4-(cyclopentanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 110364786
1-N-(2-aminoethyl)piperidine-1,4-dicarboxamide
CID 82508838
4-N,4-N-diethyl-1-N-[3-oxo-3-(propylamino)propyl]piperidine-1,4-dicarboxamide
CID 86870828
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161

Frequently Asked Questions

What is the IUPAC name of 4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide (CID 77039009) is 4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(C(N)=NO)CC1.
What is the InChIKey of 4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide?
The InChIKey is DFUCAKNRFBSFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-2-5-12-10(15)14-6-3-8(4-7-14)9(11)13-16/h8,16H,2-7H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of 4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide?
4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 77039009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).