N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

C23H38N4O2 — CID 112835935

IUPACN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C23H38N4O2/c1-3-25(4-2)17-18-29-22-9-7-20(8-10-22)19-24-23(28)27-15-11-21(12-16-27)26-13-5-6-14-26/h7-10,21H,3-6,11-19H2,1-2H3,(H,24,28)
InChIKeyWZVAPHKPPSZWFY-UHFFFAOYSA-N
MW402.58 g/mol
LogP3.18
Rot. Bonds9

About N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 112835935) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID112835935
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C23H38N4O2/c1-3-25(4-2)17-18-29-22-9-7-20(8-10-22)19-24-23(28)27-15-11-21(12-16-27)26-13-5-6-14-26/h7-10,21H,3-6,11-19H2,1-2H3,(H,24,28)
InChIKeyWZVAPHKPPSZWFY-UHFFFAOYSA-N
XLogP3.18
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
(2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119848309
4-[[[4-[3-(diethylamino)propyl]piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020849
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168861
ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113107632
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide
CID 134161071
1-cyclopentyl-3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110989912
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 87003951
N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
CID 51123387
ethyl 1-[N'-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111154913
2-(4-aminophenyl)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide;dihydrochloride
CID 119848317
(3S)-1-[4-[2-(diethylamino)ethoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124610415

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 112835935) is N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is CCN(CC)CCOc1ccc(CNC(=O)N2CCC(N3CCCC3)CC2)cc1.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is WZVAPHKPPSZWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-3-25(4-2)17-18-29-22-9-7-20(8-10-22)19-24-23(28)27-15-11-21(12-16-27)26-13-5-6-14-26/h7-10,21H,3-6,11-19H2,1-2H3,(H,24,28).
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 112835935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).