1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea

C11H23N5O2 — CID 55250006

IUPAC1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C11H23N5O2/c1-2-5-13-11(17)14-9-3-6-16(7-4-9)8-10(12)15-18/h9,18H,2-8H2,1H3,(H2,12,15)(H2,13,14,17)
InChIKeyNOHTZAXLPHMSHG-UHFFFAOYSA-N
MW257.34 g/mol
LogP-0.09
Rot. Bonds5

About 1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea

1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea (PubChem CID 55250006) has the molecular formula C11H23N5O2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea
PubChem CID55250006
Molecular FormulaC11H23N5O2
Molecular Weight257.34 g/mol
Exact Mass257.19
IUPAC Name1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C11H23N5O2/c1-2-5-13-11(17)14-9-3-6-16(7-4-9)8-10(12)15-18/h9,18H,2-8H2,1H3,(H2,12,15)(H2,13,14,17)
InChIKeyNOHTZAXLPHMSHG-UHFFFAOYSA-N
XLogP-0.09
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
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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Related Compounds

1-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 104858961
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide
CID 77002434
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115236
1-cyclopentyl-3-propylurea
CID 14343339
N-[1-[(2E)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-2,5-dibromothiophene-3-carboxamide
CID 107965206
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
N-[1-[(2E)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-chlorothiophene-2-carboxamide
CID 80641295
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]furan-2-carboxamide
CID 77002384
1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea
CID 77036914
2-[4-(cyclopropylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 104978488
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 119853535

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea?
The IUPAC name of 1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea (CID 55250006) is 1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea.
What is the SMILES notation for 1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea?
The canonical SMILES for 1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea is CCCNC(=O)NC1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of 1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea?
The InChIKey is NOHTZAXLPHMSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2/c1-2-5-13-11(17)14-9-3-6-16(7-4-9)8-10(12)15-18/h9,18H,2-8H2,1H3,(H2,12,15)(H2,13,14,17).
What are the key properties of 1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea?
1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea has a molecular weight of 257.34 g/mol, XLogP of -0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-propylurea is sourced from PubChem (CID 55250006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).