1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide

C17H25N3O2 — CID 86784089

IUPAC1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccccc2NC2CCOCC2)CC1
InChIInChI=1S/C17H25N3O2/c18-17(21)13-5-9-20(10-6-13)16-4-2-1-3-15(16)19-14-7-11-22-12-8-14/h1-4,13-14,19H,5-12H2,(H2,18,21)
InChIKeyYFDGMONPQXTCEB-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.98
Rot. Bonds4

About 1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide

1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide (PubChem CID 86784089) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide
PubChem CID86784089
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccccc2NC2CCOCC2)CC1
InChIInChI=1S/C17H25N3O2/c18-17(21)13-5-9-20(10-6-13)16-4-2-1-3-15(16)19-14-7-11-22-12-8-14/h1-4,13-14,19H,5-12H2,(H2,18,21)
InChIKeyYFDGMONPQXTCEB-UHFFFAOYSA-N
XLogP1.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylphenyl)oxolan-3-amine
CID 63335851
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one
CID 43608552
2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
CID 43722530
1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870604
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide
CID 119870587
4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine
CID 79724003
1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine
CID 65070370
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119870586
1-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 117008321
1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine
CID 43511595
N-(2-pyrazol-1-ylphenyl)oxan-4-amine
CID 43705664

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide (CID 86784089) is 1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccccc2NC2CCOCC2)CC1.
What is the InChIKey of 1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is YFDGMONPQXTCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-17(21)13-5-9-20(10-6-13)16-4-2-1-3-15(16)19-14-7-11-22-12-8-14/h1-4,13-14,19H,5-12H2,(H2,18,21).
What are the key properties of 1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide?
1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 86784089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).