N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide

C21H27N3O3 — CID 34222283

IUPACN,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H27N3O3/c1-3-22(4-2)21(26)24-13-11-23(12-14-24)20(25)16-27-19-10-9-17-7-5-6-8-18(17)15-19/h5-10,15H,3-4,11-14,16H2,1-2H3
InChIKeyRVFDTZKKIDWWOJ-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.82
Rot. Bonds5

About N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide

N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide (PubChem CID 34222283) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
PubChem CID34222283
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC NameN,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H27N3O3/c1-3-22(4-2)21(26)24-13-11-23(12-14-24)20(25)16-27-19-10-9-17-7-5-6-8-18(17)15-19/h5-10,15H,3-4,11-14,16H2,1-2H3
InChIKeyRVFDTZKKIDWWOJ-UHFFFAOYSA-N
XLogP2.82
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide
CID 110365995
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
N,N-diethyl-4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 110366149
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 127032087
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
N-hydroxy-8-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-8-oxooctanamide
CID 10238336
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072053

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide (CID 34222283) is N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide?
The InChIKey is RVFDTZKKIDWWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-22(4-2)21(26)24-13-11-23(12-14-24)20(25)16-27-19-10-9-17-7-5-6-8-18(17)15-19/h5-10,15H,3-4,11-14,16H2,1-2H3.
What are the key properties of N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide?
N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide is sourced from PubChem (CID 34222283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).