N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide

C18H28N2O3 — CID 136555130

IUPACN-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide
SMILESCCC(C)c1cccc(NC(=O)N2CCC(CO)(OC)CC2)c1
InChIInChI=1S/C18H28N2O3/c1-4-14(2)15-6-5-7-16(12-15)19-17(22)20-10-8-18(13-21,23-3)9-11-20/h5-7,12,14,21H,4,8-11,13H2,1-3H3,(H,19,22)
InChIKeyPDENYHSNTYSEEY-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.21
Rot. Bonds5

About N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide

N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide (PubChem CID 136555130) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide
PubChem CID136555130
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide
SMILESCCC(C)c1cccc(NC(=O)N2CCC(CO)(OC)CC2)c1
InChIInChI=1S/C18H28N2O3/c1-4-14(2)15-6-5-7-16(12-15)19-17(22)20-10-8-18(13-21,23-3)9-11-20/h5-7,12,14,21H,4,8-11,13H2,1-3H3,(H,19,22)
InChIKeyPDENYHSNTYSEEY-UHFFFAOYSA-N
XLogP3.21
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-butan-2-ylphenyl)-4-hydroxypiperidine-1,4-dicarboxamide
CID 138029837
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 61340159
N-[4-[(2S)-butan-2-yl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 40635402
N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118768211
N-(3-butan-2-ylphenyl)-3-methoxybenzamide
CID 139481676
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
CID 110923971
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
CID 62734496
N-[3-[1-(methylamino)ethyl]phenyl]-1,4-thiazepane-4-carboxamide
CID 61423384

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide (CID 136555130) is N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide is CCC(C)c1cccc(NC(=O)N2CCC(CO)(OC)CC2)c1.
What is the InChIKey of N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide?
The InChIKey is PDENYHSNTYSEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-14(2)15-6-5-7-16(12-15)19-17(22)20-10-8-18(13-21,23-3)9-11-20/h5-7,12,14,21H,4,8-11,13H2,1-3H3,(H,19,22).
What are the key properties of N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide?
N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-ylphenyl)-4-(hydroxymethyl)-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 136555130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).