N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide

C27H29N3O3 — CID 24663377

IUPACN-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1
InChIInChI=1S/C27H29N3O3/c1-2-33-25-10-6-5-9-24(25)29-13-15-30(16-14-29)27(32)22-17-20-7-3-4-8-21(20)18-23(22)28-26(31)19-11-12-19/h3-10,17-19H,2,11-16H2,1H3,(H,28,31)
InChIKeyCLSVTSCIRURRSD-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.55
Rot. Bonds6

About N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide

N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide (PubChem CID 24663377) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
PubChem CID24663377
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1
InChIInChI=1S/C27H29N3O3/c1-2-33-25-10-6-5-9-24(25)29-13-15-30(16-14-29)27(32)22-17-20-7-3-4-8-21(20)18-23(22)28-26(31)19-11-12-19/h3-10,17-19H,2,11-16H2,1H3,(H,28,31)
InChIKeyCLSVTSCIRURRSD-UHFFFAOYSA-N
XLogP4.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407
N-[1-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 24719026
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 46689860
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
(5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 31619065
N-[3-(3-hydroxypiperidine-1-carbonyl)naphthalen-2-yl]cyclopropanecarboxamide
CID 110880058
(3-ethoxynaphthalen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17458593
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
(2-chloro-5-methylsulfonylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415357
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 35514867

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide (CID 24663377) is N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide is CCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)CC1.
What is the InChIKey of N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide?
The InChIKey is CLSVTSCIRURRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-2-33-25-10-6-5-9-24(25)29-13-15-30(16-14-29)27(32)22-17-20-7-3-4-8-21(20)18-23(22)28-26(31)19-11-12-19/h3-10,17-19H,2,11-16H2,1H3,(H,28,31).
What are the key properties of N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide?
N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24663377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).