1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide

C20H29N3O4 — CID 55910927

IUPAC1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2ccc(OCC(=O)NCC)cc2)C1
InChIInChI=1S/C20H29N3O4/c1-3-6-19(25)23-12-5-7-15(13-23)20(26)22-16-8-10-17(11-9-16)27-14-18(24)21-4-2/h8-11,15H,3-7,12-14H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyPGOIFFFAVPLVHJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.18
Rot. Bonds8

About 1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide

1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide (PubChem CID 55910927) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
PubChem CID55910927
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)Nc2ccc(OCC(=O)NCC)cc2)C1
InChIInChI=1S/C20H29N3O4/c1-3-6-19(25)23-12-5-7-15(13-23)20(26)22-16-8-10-17(11-9-16)27-14-18(24)21-4-2/h8-11,15H,3-7,12-14H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyPGOIFFFAVPLVHJ-UHFFFAOYSA-N
XLogP2.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 119283903
(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 99564667
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 94857499
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403328
(3S)-1-[2-(4-nitrophenoxy)acetyl]-N-phenylpiperidine-3-carboxamide
CID 25493170
(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 32936903
(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621065
N-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]cyclohexanecarboxamide
CID 155811692
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide (CID 55910927) is 1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)Nc2ccc(OCC(=O)NCC)cc2)C1.
What is the InChIKey of 1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide?
The InChIKey is PGOIFFFAVPLVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-3-6-19(25)23-12-5-7-15(13-23)20(26)22-16-8-10-17(11-9-16)27-14-18(24)21-4-2/h8-11,15H,3-7,12-14H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of 1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide?
1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55910927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).