N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

C23H31N3O3 — CID 46529020

IUPACN-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN(C(=O)c2ccco2)C1)c1ccccc1
InChIInChI=1S/C23H31N3O3/c1-3-25(4-2)20(18-10-6-5-7-11-18)16-24-22(27)19-12-8-14-26(17-19)23(28)21-13-9-15-29-21/h5-7,9-11,13,15,19-20H,3-4,8,12,14,16-17H2,1-2H3,(H,24,27)
InChIKeyAQKNEVMKJOBBBR-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.33
Rot. Bonds8

About N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (PubChem CID 46529020) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
PubChem CID46529020
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN(C(=O)c2ccco2)C1)c1ccccc1
InChIInChI=1S/C23H31N3O3/c1-3-25(4-2)20(18-10-6-5-7-11-18)16-24-22(27)19-12-8-14-26(17-19)23(28)21-13-9-15-29-21/h5-7,9-11,13,15,19-20H,3-4,8,12,14,16-17H2,1-2H3,(H,24,27)
InChIKeyAQKNEVMKJOBBBR-UHFFFAOYSA-N
XLogP3.33
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32623768
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 46515829
(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 35823539
N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46448493
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702
(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide
CID 51941120
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 32618175
(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 34742118
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55660182

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (CID 46529020) is N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is CCN(CC)C(CNC(=O)C1CCCN(C(=O)c2ccco2)C1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is AQKNEVMKJOBBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-25(4-2)20(18-10-6-5-7-11-18)16-24-22(27)19-12-8-14-26(17-19)23(28)21-13-9-15-29-21/h5-7,9-11,13,15,19-20H,3-4,8,12,14,16-17H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46529020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).