N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide

C14H26N4O3 — CID 76921455

IUPACN-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
SMILESCCN1CCCC(NC(=O)C2(C(N)=NO)CCOCC2)C1
InChIInChI=1S/C14H26N4O3/c1-2-18-7-3-4-11(10-18)16-13(19)14(12(15)17-20)5-8-21-9-6-14/h11,20H,2-10H2,1H3,(H2,15,17)(H,16,19)
InChIKeyRSOJZHYUZGFEDU-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.13
Rot. Bonds4

About N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide

N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide (PubChem CID 76921455) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
PubChem CID76921455
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC NameN-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
SMILESCCN1CCCC(NC(=O)C2(C(N)=NO)CCOCC2)C1
InChIInChI=1S/C14H26N4O3/c1-2-18-7-3-4-11(10-18)16-13(19)14(12(15)17-20)5-8-21-9-6-14/h11,20H,2-10H2,1H3,(H2,15,17)(H,16,19)
InChIKeyRSOJZHYUZGFEDU-UHFFFAOYSA-N
XLogP0.13
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(1-ethylpiperidin-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76921404
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)cycloheptane-1-carboxamide
CID 76920923
N-[(3S)-1-ethylpiperidin-3-yl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 95161026
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926150
N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 104921088
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414
N-(1-cyclopropylpyrrolidin-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597560
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590677
4-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 76920259
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-4-yl)cycloheptane-1-carboxamide
CID 76919669
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide (CID 76921455) is N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide is CCN1CCCC(NC(=O)C2(C(N)=NO)CCOCC2)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The InChIKey is RSOJZHYUZGFEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-2-18-7-3-4-11(10-18)16-13(19)14(12(15)17-20)5-8-21-9-6-14/h11,20H,2-10H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide is sourced from PubChem (CID 76921455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).