1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide

C20H31N3O2 — CID 86782658

IUPAC1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide
SMILESCC(Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CCOCC1
InChIInChI=1S/C20H31N3O2/c1-15(17-7-11-25-12-8-17)22-19-4-2-3-16(13-19)14-23-9-5-18(6-10-23)20(21)24/h2-4,13,15,17-18,22H,5-12,14H2,1H3,(H2,21,24)
InChIKeyLZDAGPUPIVEWOI-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.61
Rot. Bonds6

About 1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 86782658) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID86782658
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide
SMILESCC(Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CCOCC1
InChIInChI=1S/C20H31N3O2/c1-15(17-7-11-25-12-8-17)22-19-4-2-3-16(13-19)14-23-9-5-18(6-10-23)20(21)24/h2-4,13,15,17-18,22H,5-12,14H2,1H3,(H2,21,24)
InChIKeyLZDAGPUPIVEWOI-UHFFFAOYSA-N
XLogP2.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115918177
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1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 126801421
1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853105
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801639
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
1-[[3-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768192
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide
CID 119853096
1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 60520535
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 87005424

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide (CID 86782658) is 1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide is CC(Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CCOCC1.
What is the InChIKey of 1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is LZDAGPUPIVEWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(17-7-11-25-12-8-17)22-19-4-2-3-16(13-19)14-23-9-5-18(6-10-23)20(21)24/h2-4,13,15,17-18,22H,5-12,14H2,1H3,(H2,21,24).
What are the key properties of 1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 86782658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).