N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide

C18H27N3O2 — CID 26407655

IUPACN-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide
SMILESO=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1cc[n+]([O-])cc1
InChIInChI=1S/C18H27N3O2/c22-18(16-8-11-21(23)12-9-16)19-17-7-4-10-20(14-17)13-15-5-2-1-3-6-15/h8-9,11-12,15,17H,1-7,10,13-14H2,(H,19,22)/t17-/m1/s1
InChIKeyDGDGWMFKDYUIGO-QGZVFWFLSA-N
MW317.43 g/mol
LogP2.09
Rot. Bonds4

About N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide

N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide (PubChem CID 26407655) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide
PubChem CID26407655
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide
SMILESO=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1cc[n+]([O-])cc1
InChIInChI=1S/C18H27N3O2/c22-18(16-8-11-21(23)12-9-16)19-17-7-4-10-20(14-17)13-15-5-2-1-3-6-15/h8-9,11-12,15,17H,1-7,10,13-14H2,(H,19,22)/t17-/m1/s1
InChIKeyDGDGWMFKDYUIGO-QGZVFWFLSA-N
XLogP2.09
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
CID 25448585
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 45196321
N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-methylfuran-3-carboxamide
CID 45178957
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 42592717
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45186564
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide
CID 111508901
N-[1-(cyclohexylmethyl)piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 56702015
2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]-N-methylpyridine-4-carboxamide
CID 70707861
N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(methoxymethyl)benzamide
CID 95616964
6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 95894858

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide?
The IUPAC name of N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide (CID 26407655) is N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide is O=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1cc[n+]([O-])cc1.
What is the InChIKey of N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide?
The InChIKey is DGDGWMFKDYUIGO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(16-8-11-21(23)12-9-16)19-17-7-4-10-20(14-17)13-15-5-2-1-3-6-15/h8-9,11-12,15,17H,1-7,10,13-14H2,(H,19,22)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide?
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-oxidopyridin-1-ium-4-carboxamide is sourced from PubChem (CID 26407655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).