N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C27H35N3O4 — CID 55973182

IUPACN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)c1
InChIInChI=1S/C27H35N3O4/c1-3-20(2)29-27(33)22-10-7-9-21(17-22)18-28-26(32)23-11-8-15-30(19-23)25(31)14-16-34-24-12-5-4-6-13-24/h4-7,9-10,12-13,17,20,23H,3,8,11,14-16,18-19H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFNPHOUHPBKYCGT-UHFFFAOYSA-N
MW465.59 g/mol
LogP3.54
Rot. Bonds10

About N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55973182) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55973182
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC NameN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)c1
InChIInChI=1S/C27H35N3O4/c1-3-20(2)29-27(33)22-10-7-9-21(17-22)18-28-26(32)23-11-8-15-30(19-23)25(31)14-16-34-24-12-5-4-6-13-24/h4-7,9-10,12-13,17,20,23H,3,8,11,14-16,18-19H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyFNPHOUHPBKYCGT-UHFFFAOYSA-N
XLogP3.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60621219
ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 47078434
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-[(2,4-dichlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967139
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553281
2-[2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242294
(3S)-N-[[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 94201321
2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55967026
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3S)-N-[2-(2,2-diethoxyethoxy)ethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 99797772

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55973182) is N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is CCC(C)NC(=O)c1cccc(CNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)c1.
What is the InChIKey of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is FNPHOUHPBKYCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-3-20(2)29-27(33)22-10-7-9-21(17-22)18-28-26(32)23-11-8-15-30(19-23)25(31)14-16-34-24-12-5-4-6-13-24/h4-7,9-10,12-13,17,20,23H,3,8,11,14-16,18-19H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 465.59 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55973182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).