N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C21H32N2O3 — CID 55855912

IUPACN-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C21H32N2O3/c1-3-5-14-22(4-2)21(25)18-11-15-23(16-12-18)20(24)13-17-26-19-9-7-6-8-10-19/h6-10,18H,3-5,11-17H2,1-2H3
InChIKeyMWBYPOFVZQJKNR-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.34
Rot. Bonds9

About N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55855912) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55855912
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C21H32N2O3/c1-3-5-14-22(4-2)21(25)18-11-15-23(16-12-18)20(24)13-17-26-19-9-7-6-8-10-19/h6-10,18H,3-5,11-17H2,1-2H3
InChIKeyMWBYPOFVZQJKNR-UHFFFAOYSA-N
XLogP3.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid
CID 119195099
2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119228405
2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198435
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55876010
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110441101
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854082
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55855912) is N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CCCCN(CC)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is MWBYPOFVZQJKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-3-5-14-22(4-2)21(25)18-11-15-23(16-12-18)20(24)13-17-26-19-9-7-6-8-10-19/h6-10,18H,3-5,11-17H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55855912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).