N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide

C21H33N3O3 — CID 51123387

IUPACN-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
SMILESCCN(CC)CCOc1ccc(C(=O)N2CCC(CNC(C)=O)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-4-23(5-2)14-15-27-20-8-6-19(7-9-20)21(26)24-12-10-18(11-13-24)16-22-17(3)25/h6-9,18H,4-5,10-16H2,1-3H3,(H,22,25)
InChIKeyKEZZOSRUMNCLNC-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.40
Rot. Bonds9

About N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide

N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 51123387) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
PubChem CID51123387
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
SMILESCCN(CC)CCOc1ccc(C(=O)N2CCC(CNC(C)=O)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-4-23(5-2)14-15-27-20-8-6-19(7-9-20)21(26)24-12-10-18(11-13-24)16-22-17(3)25/h6-9,18H,4-5,10-16H2,1-3H3,(H,22,25)
InChIKeyKEZZOSRUMNCLNC-UHFFFAOYSA-N
XLogP2.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone
CID 119520334
(3S)-1-[4-[2-(diethylamino)ethoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124610415
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-[2-(diethylamino)ethoxy]phenyl]methanone
CID 119638759
(4-butoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543778
N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 103956700
(4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone
CID 22567487
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide
CID 55527967
(4-butoxyphenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63395660
1-[1-[4-[7-(diethylamino)heptoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19030830
2-[4-[3-(acetamidomethyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552189
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide (CID 51123387) is N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide is CCN(CC)CCOc1ccc(C(=O)N2CCC(CNC(C)=O)CC2)cc1.
What is the InChIKey of N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is KEZZOSRUMNCLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-23(5-2)14-15-27-20-8-6-19(7-9-20)21(26)24-12-10-18(11-13-24)16-22-17(3)25/h6-9,18H,4-5,10-16H2,1-3H3,(H,22,25).
What are the key properties of N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 375.51 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 51123387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).