N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

C21H30N2O4 — CID 91786060

IUPACN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NC(Cc2ccccc2)C2CC(O)C2)CC1
InChIInChI=1S/C21H30N2O4/c1-27-14-20(25)23-9-7-16(8-10-23)21(26)22-19(17-12-18(24)13-17)11-15-5-3-2-4-6-15/h2-6,16-19,24H,7-14H2,1H3,(H,22,26)
InChIKeyOHQHKLOVZVKGHV-UHFFFAOYSA-N
MW374.48 g/mol
LogP1.37
Rot. Bonds7

About N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide

N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (PubChem CID 91786060) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
PubChem CID91786060
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)NC(Cc2ccccc2)C2CC(O)C2)CC1
InChIInChI=1S/C21H30N2O4/c1-27-14-20(25)23-9-7-16(8-10-23)21(26)22-19(17-12-18(24)13-17)11-15-5-3-2-4-6-15/h2-6,16-19,24H,7-14H2,1H3,(H,22,26)
InChIKeyOHQHKLOVZVKGHV-UHFFFAOYSA-N
XLogP1.37
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-methoxyacetamide
CID 91794448
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
3-(3-chlorophenyl)-3-[[1-(2-methoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 72888488
N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide
CID 87000159
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91788825
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
2-(dimethylcarbamoylamino)-N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]acetamide
CID 91761784
(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide
CID 95632147

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide (CID 91786060) is N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is COCC(=O)N1CCC(C(=O)NC(Cc2ccccc2)C2CC(O)C2)CC1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
The InChIKey is OHQHKLOVZVKGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-27-14-20(25)23-9-7-16(8-10-23)21(26)22-19(17-12-18(24)13-17)11-15-5-3-2-4-6-15/h2-6,16-19,24H,7-14H2,1H3,(H,22,26).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide?
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 91786060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).