N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide

C20H31N3O3 — CID 47755944

IUPACN-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C20H31N3O3/c1-4-22(5-2)19(24)17-11-9-16(10-12-17)14-21-20(25)23-13-7-8-18(15-23)26-6-3/h9-12,18H,4-8,13-15H2,1-3H3,(H,21,25)
InChIKeyKDFWCWMEBRSMEX-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.88
Rot. Bonds7

About N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide

N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide (PubChem CID 47755944) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide
PubChem CID47755944
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C20H31N3O3/c1-4-22(5-2)19(24)17-11-9-16(10-12-17)14-21-20(25)23-13-7-8-18(15-23)26-6-3/h9-12,18H,4-8,13-15H2,1-3H3,(H,21,25)
InChIKeyKDFWCWMEBRSMEX-UHFFFAOYSA-N
XLogP2.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 86984501
N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide
CID 136525157
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
(3S)-3-ethoxy-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 95189549
(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide
CID 95309425
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221277
3-[(3-ethoxypiperidine-1-carbonyl)-ethylamino]propanoic acid
CID 54990119
(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107839176
4-[[[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020316
4-[[(3-aminopiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 61403953
4-[[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 63550040

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide?
The IUPAC name of N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide (CID 47755944) is N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide is CCOC1CCCN(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)C1.
What is the InChIKey of N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide?
The InChIKey is KDFWCWMEBRSMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-22(5-2)19(24)17-11-9-16(10-12-17)14-21-20(25)23-13-7-8-18(15-23)26-6-3/h9-12,18H,4-8,13-15H2,1-3H3,(H,21,25).
What are the key properties of N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide?
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide is sourced from PubChem (CID 47755944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).